1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;4,4-dimethylpentylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylhexane;bis(1-methyl-4-(2-methylpropyl)benzene);2-methylpropane;1-methyl-4-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine

C175H259Cl2FN2O3 — CID 157163426

IUPAC1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;4,4-dimethylpentylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylhexane;bis(1-methyl-4-(2-methylpropyl)benzene);2-methylpropane;1-methyl-4-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine
SMILESCC(C)(C)CCCc1ccccc1.CC(C)C.CC(C)CCc1ccccc1.CC(C)Cc1ccc(C(C)(C)C)cc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1Cl.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccccc1.CCCCC(C)C.COc1ccc(C(C)C)cc1.COc1ccc(CC(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)nc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C14H22.C13H20.C11H16O.3C11H16.C10H13Cl.C10H14O.2C10H14.C9H11Cl.C9H11F.2C9H13N.C9H12.C8H12O.C7H16.C4H10/c1-11(2)10-12-6-8-13(9-7-12)14(3,4)5;1-13(2,3)11-7-10-12-8-5-4-6-9-12;1-9(2)8-10-4-6-11(12-3)7-5-10;2*1-9(2)8-11-6-4-10(3)5-7-11;1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)7-9-5-3-4-6-10(9)11;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-9(2)8-10-6-4-3-5-7-10;2*1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-5-4-8(3)6-10-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)9-6-4-3-5-7-9;1-7(2)6-8-4-3-5-9-8;1-4-5-6-7(2)3;1-4(2)3/h6-9,11H,10H2,1-5H3;4-6,8-9H,7,10-11H2,1-3H3;4-7,9H,8H2,1-3H3;2*4-7,9H,8H2,1-3H3;3-7,10H,8-9H2,1-2H3;3-6,8H,7H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3-7,9H,8H2,1-2H3;2*3-7H,1-2H3;4-7H,1-3H3;3-5,7-8H,6H2,1-2H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3;7H,4-6H2,1-3H3;4H,1-3H3
InChIKeyAMQDRNAYPVYRKE-UHFFFAOYSA-N
MW2528.91 g/mol
LogP54.14
Rot. Bonds33

About 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;4,4-dimethylpentylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylhexane;bis(1-methyl-4-(2-methylpropyl)benzene);2-methylpropane;1-methyl-4-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine

1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;4,4-dimethylpentylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylhexane;bis(1-methyl-4-(2-methylpropyl)benzene);2-methylpropane;1-methyl-4-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine (PubChem CID 157163426) has the molecular formula C175H259Cl2FN2O3 and a molecular weight of 2528.91 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;4,4-dimethylpentylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylhexane;bis(1-methyl-4-(2-methylpropyl)benzene);2-methylpropane;1-methyl-4-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine.

Molecular Properties

Compound Name1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;4,4-dimethylpentylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylhexane;bis(1-methyl-4-(2-methylpropyl)benzene);2-methylpropane;1-methyl-4-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine
PubChem CID157163426
Molecular FormulaC175H259Cl2FN2O3
Molecular Weight2528.91 g/mol
Exact Mass2525.95
IUPAC Name1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;4,4-dimethylpentylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylhexane;bis(1-methyl-4-(2-methylpropyl)benzene);2-methylpropane;1-methyl-4-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine
SMILESCC(C)(C)CCCc1ccccc1.CC(C)C.CC(C)CCc1ccccc1.CC(C)Cc1ccc(C(C)(C)C)cc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1Cl.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccccc1.CCCCC(C)C.COc1ccc(C(C)C)cc1.COc1ccc(CC(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)nc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C14H22.C13H20.C11H16O.3C11H16.C10H13Cl.C10H14O.2C10H14.C9H11Cl.C9H11F.2C9H13N.C9H12.C8H12O.C7H16.C4H10/c1-11(2)10-12-6-8-13(9-7-12)14(3,4)5;1-13(2,3)11-7-10-12-8-5-4-6-9-12;1-9(2)8-10-4-6-11(12-3)7-5-10;2*1-9(2)8-11-6-4-10(3)5-7-11;1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)7-9-5-3-4-6-10(9)11;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-9(2)8-10-6-4-3-5-7-10;2*1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-5-4-8(3)6-10-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)9-6-4-3-5-7-9;1-7(2)6-8-4-3-5-9-8;1-4-5-6-7(2)3;1-4(2)3/h6-9,11H,10H2,1-5H3;4-6,8-9H,7,10-11H2,1-3H3;4-7,9H,8H2,1-3H3;2*4-7,9H,8H2,1-3H3;3-7,10H,8-9H2,1-2H3;3-6,8H,7H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3-7,9H,8H2,1-2H3;2*3-7H,1-2H3;4-7H,1-3H3;3-5,7-8H,6H2,1-2H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3;7H,4-6H2,1-3H3;4H,1-3H3
InChIKeyAMQDRNAYPVYRKE-UHFFFAOYSA-N
XLogP54.14
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds33
Heavy Atoms183
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002528.91
LogP ≤ 554.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;4,4-dimethylpentylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylhexane;bis(1-methyl-4-(2-methylpropyl)benzene);2-methylpropane;1-methyl-4-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;4,4-dimethylpentylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylhexane;bis(1-methyl-4-(2-methylpropyl)benzene);2-methylpropane;1-methyl-4-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine?
The IUPAC name of 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;4,4-dimethylpentylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylhexane;bis(1-methyl-4-(2-methylpropyl)benzene);2-methylpropane;1-methyl-4-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine (CID 157163426) is 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;4,4-dimethylpentylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylhexane;bis(1-methyl-4-(2-methylpropyl)benzene);2-methylpropane;1-methyl-4-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine.
What is the SMILES notation for 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;4,4-dimethylpentylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylhexane;bis(1-methyl-4-(2-methylpropyl)benzene);2-methylpropane;1-methyl-4-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine?
The canonical SMILES for 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;4,4-dimethylpentylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylhexane;bis(1-methyl-4-(2-methylpropyl)benzene);2-methylpropane;1-methyl-4-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine is CC(C)(C)CCCc1ccccc1.CC(C)C.CC(C)CCc1ccccc1.CC(C)Cc1ccc(C(C)(C)C)cc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1Cl.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccccc1.CCCCC(C)C.COc1ccc(C(C)C)cc1.COc1ccc(CC(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)nc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;4,4-dimethylpentylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylhexane;bis(1-methyl-4-(2-methylpropyl)benzene);2-methylpropane;1-methyl-4-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine?
The InChIKey is AMQDRNAYPVYRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.C13H20.C11H16O.3C11H16.C10H13Cl.C10H14O.2C10H14.C9H11Cl.C9H11F.2C9H13N.C9H12.C8H12O.C7H16.C4H10/c1-11(2)10-12-6-8-13(9-7-12)14(3,4)5;1-13(2,3)11-7-10-12-8-5-4-6-9-12;1-9(2)8-10-4-6-11(12-3)7-5-10;2*1-9(2)8-11-6-4-10(3)5-7-11;1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)7-9-5-3-4-6-10(9)11;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-9(2)8-10-6-4-3-5-7-10;2*1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-5-4-8(3)6-10-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)9-6-4-3-5-7-9;1-7(2)6-8-4-3-5-9-8;1-4-5-6-7(2)3;1-4(2)3/h6-9,11H,10H2,1-5H3;4-6,8-9H,7,10-11H2,1-3H3;4-7,9H,8H2,1-3H3;2*4-7,9H,8H2,1-3H3;3-7,10H,8-9H2,1-2H3;3-6,8H,7H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3-7,9H,8H2,1-2H3;2*3-7H,1-2H3;4-7H,1-3H3;3-5,7-8H,6H2,1-2H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3;7H,4-6H2,1-3H3;4H,1-3H3.
What are the key properties of 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;4,4-dimethylpentylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylhexane;bis(1-methyl-4-(2-methylpropyl)benzene);2-methylpropane;1-methyl-4-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine?
1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;4,4-dimethylpentylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylhexane;bis(1-methyl-4-(2-methylpropyl)benzene);2-methylpropane;1-methyl-4-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine has a molecular weight of 2528.91 g/mol, XLogP of 54.14, 33 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;4,4-dimethylpentylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylhexane;bis(1-methyl-4-(2-methylpropyl)benzene);2-methylpropane;1-methyl-4-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;2-methylpropylbenzene;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine is sourced from PubChem (CID 157163426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).