4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;1-tert-butyl-3-(cyclopropylmethoxy)-2-fluorobenzene;2-tert-butyl-4-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-methylbenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-1-fluoro-2-propoxybenzene

C130H180ClF9O9 — CID 158457757

IUPAC4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;1-tert-butyl-3-(cyclopropylmethoxy)-2-fluorobenzene;2-tert-butyl-4-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-methylbenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-1-fluoro-2-propoxybenzene
SMILESCC(C)(C)c1cc(OCC2CC2)ccc1F.CC(C)(C)c1ccc(C(F)(F)F)c(OCC2CC2)c1.CC(C)(C)c1ccc(Cl)c(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)c1.CC(C)(C)c1cccc(OCC2CC2)c1F.CCCOc1cc(C(C)(C)C)ccc1F.Cc1ccc(C(C)(C)C)cc1OCC1CC1
InChIInChI=1S/C16H23FO.C15H19F3O.C15H21FO.C15H22O.C14H19ClO.3C14H19FO.C13H19FO/c1-16(2,3)13-8-9-14(17)15(10-13)18-11-12-6-4-5-7-12;1-14(2,3)11-6-7-12(15(16,17)18)13(8-11)19-9-10-4-5-10;1-15(2,3)12-7-8-13(16)14(9-12)17-10-11-5-4-6-11;1-11-5-8-13(15(2,3)4)9-14(11)16-10-12-6-7-12;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-14(2,3)12-8-11(6-7-13(12)15)16-9-10-4-5-10;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-14(2,3)11-5-4-6-12(13(11)15)16-9-10-7-8-10;1-5-8-15-12-9-10(13(2,3)4)6-7-11(12)14/h8-10,12H,4-7,11H2,1-3H3;6-8,10H,4-5,9H2,1-3H3;7-9,11H,4-6,10H2,1-3H3;5,8-9,12H,6-7,10H2,1-4H3;3*6-8,10H,4-5,9H2,1-3H3;4-6,10H,7-9H2,1-3H3;6-7,9H,5,8H2,1-4H3
InChIKeyHETZXTJCXYGXMQ-UHFFFAOYSA-N
MW2093.30 g/mol
LogP37.94
Rot. Bonds27

About 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;1-tert-butyl-3-(cyclopropylmethoxy)-2-fluorobenzene;2-tert-butyl-4-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-methylbenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-1-fluoro-2-propoxybenzene

4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;1-tert-butyl-3-(cyclopropylmethoxy)-2-fluorobenzene;2-tert-butyl-4-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-methylbenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-1-fluoro-2-propoxybenzene (PubChem CID 158457757) has the molecular formula C130H180ClF9O9 and a molecular weight of 2093.30 g/mol. Its IUPAC name is 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;1-tert-butyl-3-(cyclopropylmethoxy)-2-fluorobenzene;2-tert-butyl-4-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-methylbenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-1-fluoro-2-propoxybenzene.

Molecular Properties

Compound Name4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;1-tert-butyl-3-(cyclopropylmethoxy)-2-fluorobenzene;2-tert-butyl-4-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-methylbenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-1-fluoro-2-propoxybenzene
PubChem CID158457757
Molecular FormulaC130H180ClF9O9
Molecular Weight2093.30 g/mol
Exact Mass2091.32
IUPAC Name4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;1-tert-butyl-3-(cyclopropylmethoxy)-2-fluorobenzene;2-tert-butyl-4-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-methylbenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-1-fluoro-2-propoxybenzene
SMILESCC(C)(C)c1cc(OCC2CC2)ccc1F.CC(C)(C)c1ccc(C(F)(F)F)c(OCC2CC2)c1.CC(C)(C)c1ccc(Cl)c(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)c1.CC(C)(C)c1cccc(OCC2CC2)c1F.CCCOc1cc(C(C)(C)C)ccc1F.Cc1ccc(C(C)(C)C)cc1OCC1CC1
InChIInChI=1S/C16H23FO.C15H19F3O.C15H21FO.C15H22O.C14H19ClO.3C14H19FO.C13H19FO/c1-16(2,3)13-8-9-14(17)15(10-13)18-11-12-6-4-5-7-12;1-14(2,3)11-6-7-12(15(16,17)18)13(8-11)19-9-10-4-5-10;1-15(2,3)12-7-8-13(16)14(9-12)17-10-11-5-4-6-11;1-11-5-8-13(15(2,3)4)9-14(11)16-10-12-6-7-12;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-14(2,3)12-8-11(6-7-13(12)15)16-9-10-4-5-10;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-14(2,3)11-5-4-6-12(13(11)15)16-9-10-7-8-10;1-5-8-15-12-9-10(13(2,3)4)6-7-11(12)14/h8-10,12H,4-7,11H2,1-3H3;6-8,10H,4-5,9H2,1-3H3;7-9,11H,4-6,10H2,1-3H3;5,8-9,12H,6-7,10H2,1-4H3;3*6-8,10H,4-5,9H2,1-3H3;4-6,10H,7-9H2,1-3H3;6-7,9H,5,8H2,1-4H3
InChIKeyHETZXTJCXYGXMQ-UHFFFAOYSA-N
XLogP37.94
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds27
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002093.30
LogP ≤ 537.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;1-tert-butyl-3-(cyclopropylmethoxy)-2-fluorobenzene;2-tert-butyl-4-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-methylbenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-1-fluoro-2-propoxybenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;1-tert-butyl-3-(cyclopropylmethoxy)-2-fluorobenzene;2-tert-butyl-4-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-methylbenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-1-fluoro-2-propoxybenzene?
The IUPAC name of 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;1-tert-butyl-3-(cyclopropylmethoxy)-2-fluorobenzene;2-tert-butyl-4-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-methylbenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-1-fluoro-2-propoxybenzene (CID 158457757) is 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;1-tert-butyl-3-(cyclopropylmethoxy)-2-fluorobenzene;2-tert-butyl-4-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-methylbenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-1-fluoro-2-propoxybenzene.
What is the SMILES notation for 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;1-tert-butyl-3-(cyclopropylmethoxy)-2-fluorobenzene;2-tert-butyl-4-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-methylbenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-1-fluoro-2-propoxybenzene?
The canonical SMILES for 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;1-tert-butyl-3-(cyclopropylmethoxy)-2-fluorobenzene;2-tert-butyl-4-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-methylbenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-1-fluoro-2-propoxybenzene is CC(C)(C)c1cc(OCC2CC2)ccc1F.CC(C)(C)c1ccc(C(F)(F)F)c(OCC2CC2)c1.CC(C)(C)c1ccc(Cl)c(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)c1.CC(C)(C)c1cccc(OCC2CC2)c1F.CCCOc1cc(C(C)(C)C)ccc1F.Cc1ccc(C(C)(C)C)cc1OCC1CC1.
What is the InChIKey of 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;1-tert-butyl-3-(cyclopropylmethoxy)-2-fluorobenzene;2-tert-butyl-4-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-methylbenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-1-fluoro-2-propoxybenzene?
The InChIKey is HETZXTJCXYGXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO.C15H19F3O.C15H21FO.C15H22O.C14H19ClO.3C14H19FO.C13H19FO/c1-16(2,3)13-8-9-14(17)15(10-13)18-11-12-6-4-5-7-12;1-14(2,3)11-6-7-12(15(16,17)18)13(8-11)19-9-10-4-5-10;1-15(2,3)12-7-8-13(16)14(9-12)17-10-11-5-4-6-11;1-11-5-8-13(15(2,3)4)9-14(11)16-10-12-6-7-12;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-14(2,3)12-8-11(6-7-13(12)15)16-9-10-4-5-10;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-14(2,3)11-5-4-6-12(13(11)15)16-9-10-7-8-10;1-5-8-15-12-9-10(13(2,3)4)6-7-11(12)14/h8-10,12H,4-7,11H2,1-3H3;6-8,10H,4-5,9H2,1-3H3;7-9,11H,4-6,10H2,1-3H3;5,8-9,12H,6-7,10H2,1-4H3;3*6-8,10H,4-5,9H2,1-3H3;4-6,10H,7-9H2,1-3H3;6-7,9H,5,8H2,1-4H3.
What are the key properties of 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;1-tert-butyl-3-(cyclopropylmethoxy)-2-fluorobenzene;2-tert-butyl-4-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-methylbenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-1-fluoro-2-propoxybenzene?
4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;1-tert-butyl-3-(cyclopropylmethoxy)-2-fluorobenzene;2-tert-butyl-4-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-methylbenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-1-fluoro-2-propoxybenzene has a molecular weight of 2093.30 g/mol, XLogP of 37.94, 27 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;1-tert-butyl-3-(cyclopropylmethoxy)-2-fluorobenzene;2-tert-butyl-4-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-methylbenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-1-fluoro-2-propoxybenzene is sourced from PubChem (CID 158457757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).