1-chloro-2-propan-2-ylbenzene;cumene;3-methyl-4,5-di(propan-2-yl)-1,2,4-triazole;3-methylidene-6-propan-2-yl-2H-pyridine;4-methyl-2-methylidene-7-propan-2-ylchromene;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);6-methyl-3-propan-2-yl-1,2-benzoxazole;3-methyl-6-propan-2-ylpyridazine;5-methyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine

C126H174ClN9O2 — CID 163558347

IUPAC1-chloro-2-propan-2-ylbenzene;cumene;3-methyl-4,5-di(propan-2-yl)-1,2,4-triazole;3-methylidene-6-propan-2-yl-2H-pyridine;4-methyl-2-methylidene-7-propan-2-ylchromene;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);6-methyl-3-propan-2-yl-1,2-benzoxazole;3-methyl-6-propan-2-ylpyridazine;5-methyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine
SMILESC=C1C=C(C)c2ccc(C(C)C)cc2O1.C=C1C=CC(C(C)C)=NC1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1cccnc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nn1.Cc1ccc2c(C(C)C)noc2c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1nnc(C(C)C)n1C(C)C
InChIInChI=1S/C14H16O.C11H13NO.4C10H14.C9H11Cl.C9H17N3.2C9H13N.C9H12.C8H12N2.C8H11N/c1-9(2)12-5-6-13-10(3)7-11(4)15-14(13)8-12;1-7(2)11-9-5-4-8(3)6-10(9)13-12-11;2*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-5-3-4-6-9(8)10;1-6(2)9-11-10-8(5)12(9)7(3)4;2*1-7(2)9-5-4-8(3)6-10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-4-7(3)9-10-8;1-7(2)8-4-3-5-9-6-8/h5-9H,4H2,1-3H3;4-7H,1-3H3;4*4-8H,1-3H3;3-7H,1-2H3;6-7H,1-5H3;4-7H,1-3H3;4-5,7H,3,6H2,1-2H3;3-8H,1-2H3;4-6H,1-3H3;3-7H,1-2H3
InChIKeyFPBAANZJZHUAKH-UHFFFAOYSA-N
MW1882.29 g/mol
LogP37.25
Rot. Bonds14

About 1-chloro-2-propan-2-ylbenzene;cumene;3-methyl-4,5-di(propan-2-yl)-1,2,4-triazole;3-methylidene-6-propan-2-yl-2H-pyridine;4-methyl-2-methylidene-7-propan-2-ylchromene;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);6-methyl-3-propan-2-yl-1,2-benzoxazole;3-methyl-6-propan-2-ylpyridazine;5-methyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine

1-chloro-2-propan-2-ylbenzene;cumene;3-methyl-4,5-di(propan-2-yl)-1,2,4-triazole;3-methylidene-6-propan-2-yl-2H-pyridine;4-methyl-2-methylidene-7-propan-2-ylchromene;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);6-methyl-3-propan-2-yl-1,2-benzoxazole;3-methyl-6-propan-2-ylpyridazine;5-methyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine (PubChem CID 163558347) has the molecular formula C126H174ClN9O2 and a molecular weight of 1882.29 g/mol. Its IUPAC name is 1-chloro-2-propan-2-ylbenzene;cumene;3-methyl-4,5-di(propan-2-yl)-1,2,4-triazole;3-methylidene-6-propan-2-yl-2H-pyridine;4-methyl-2-methylidene-7-propan-2-ylchromene;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);6-methyl-3-propan-2-yl-1,2-benzoxazole;3-methyl-6-propan-2-ylpyridazine;5-methyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine.

Molecular Properties

Compound Name1-chloro-2-propan-2-ylbenzene;cumene;3-methyl-4,5-di(propan-2-yl)-1,2,4-triazole;3-methylidene-6-propan-2-yl-2H-pyridine;4-methyl-2-methylidene-7-propan-2-ylchromene;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);6-methyl-3-propan-2-yl-1,2-benzoxazole;3-methyl-6-propan-2-ylpyridazine;5-methyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine
PubChem CID163558347
Molecular FormulaC126H174ClN9O2
Molecular Weight1882.29 g/mol
Exact Mass1880.35
IUPAC Name1-chloro-2-propan-2-ylbenzene;cumene;3-methyl-4,5-di(propan-2-yl)-1,2,4-triazole;3-methylidene-6-propan-2-yl-2H-pyridine;4-methyl-2-methylidene-7-propan-2-ylchromene;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);6-methyl-3-propan-2-yl-1,2-benzoxazole;3-methyl-6-propan-2-ylpyridazine;5-methyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine
SMILESC=C1C=C(C)c2ccc(C(C)C)cc2O1.C=C1C=CC(C(C)C)=NC1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1cccnc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nn1.Cc1ccc2c(C(C)C)noc2c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1nnc(C(C)C)n1C(C)C
InChIInChI=1S/C14H16O.C11H13NO.4C10H14.C9H11Cl.C9H17N3.2C9H13N.C9H12.C8H12N2.C8H11N/c1-9(2)12-5-6-13-10(3)7-11(4)15-14(13)8-12;1-7(2)11-9-5-4-8(3)6-10(9)13-12-11;2*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-5-3-4-6-9(8)10;1-6(2)9-11-10-8(5)12(9)7(3)4;2*1-7(2)9-5-4-8(3)6-10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-4-7(3)9-10-8;1-7(2)8-4-3-5-9-6-8/h5-9H,4H2,1-3H3;4-7H,1-3H3;4*4-8H,1-3H3;3-7H,1-2H3;6-7H,1-5H3;4-7H,1-3H3;4-5,7H,3,6H2,1-2H3;3-8H,1-2H3;4-6H,1-3H3;3-7H,1-2H3
InChIKeyFPBAANZJZHUAKH-UHFFFAOYSA-N
XLogP37.25
TPSA129.89 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001882.29
LogP ≤ 537.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1-chloro-2-propan-2-ylbenzene;cumene;3-methyl-4,5-di(propan-2-yl)-1,2,4-triazole;3-methylidene-6-propan-2-yl-2H-pyridine;4-methyl-2-methylidene-7-propan-2-ylchromene;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);6-methyl-3-propan-2-yl-1,2-benzoxazole;3-methyl-6-propan-2-ylpyridazine;5-methyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

tris(1-tert-butyl-4-chlorobenzene);3-tert-butyl-6-fluoro-1,2-benzoxazole;1-tert-butyl-4-methoxybenzene;7-tert-butyl-4-methylchromen-2-one;4-tert-butyl-3-methyl-5-propan-2-yl-1,2,4-triazole;3-tert-butyl-6-methylpyridazine;3-tert-butylphenol;4-tert-butylpyridine;6-tert-butyl-2H-pyridin-3-one;5-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)pyridine
CID 158623577
1-chloro-2-propan-2-ylbenzene;cumene;1-ethyl-4-propan-2-ylbenzene;methane;5-methyl-1,2-di(propan-2-yl)imidazole;3-methylidene-6-propan-2-yl-2H-pyridine;4-methyl-2-methylidene-7-propan-2-ylchromene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1,2-benzoxazole;3-methyl-6-propan-2-ylpyridazine;5-methyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 165027055

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-propan-2-ylbenzene;cumene;3-methyl-4,5-di(propan-2-yl)-1,2,4-triazole;3-methylidene-6-propan-2-yl-2H-pyridine;4-methyl-2-methylidene-7-propan-2-ylchromene;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);6-methyl-3-propan-2-yl-1,2-benzoxazole;3-methyl-6-propan-2-ylpyridazine;5-methyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine?
The IUPAC name of 1-chloro-2-propan-2-ylbenzene;cumene;3-methyl-4,5-di(propan-2-yl)-1,2,4-triazole;3-methylidene-6-propan-2-yl-2H-pyridine;4-methyl-2-methylidene-7-propan-2-ylchromene;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);6-methyl-3-propan-2-yl-1,2-benzoxazole;3-methyl-6-propan-2-ylpyridazine;5-methyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine (CID 163558347) is 1-chloro-2-propan-2-ylbenzene;cumene;3-methyl-4,5-di(propan-2-yl)-1,2,4-triazole;3-methylidene-6-propan-2-yl-2H-pyridine;4-methyl-2-methylidene-7-propan-2-ylchromene;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);6-methyl-3-propan-2-yl-1,2-benzoxazole;3-methyl-6-propan-2-ylpyridazine;5-methyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine.
What is the SMILES notation for 1-chloro-2-propan-2-ylbenzene;cumene;3-methyl-4,5-di(propan-2-yl)-1,2,4-triazole;3-methylidene-6-propan-2-yl-2H-pyridine;4-methyl-2-methylidene-7-propan-2-ylchromene;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);6-methyl-3-propan-2-yl-1,2-benzoxazole;3-methyl-6-propan-2-ylpyridazine;5-methyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine?
The canonical SMILES for 1-chloro-2-propan-2-ylbenzene;cumene;3-methyl-4,5-di(propan-2-yl)-1,2,4-triazole;3-methylidene-6-propan-2-yl-2H-pyridine;4-methyl-2-methylidene-7-propan-2-ylchromene;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);6-methyl-3-propan-2-yl-1,2-benzoxazole;3-methyl-6-propan-2-ylpyridazine;5-methyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine is C=C1C=C(C)c2ccc(C(C)C)cc2O1.C=C1C=CC(C(C)C)=NC1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1cccnc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nn1.Cc1ccc2c(C(C)C)noc2c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1nnc(C(C)C)n1C(C)C.
What is the InChIKey of 1-chloro-2-propan-2-ylbenzene;cumene;3-methyl-4,5-di(propan-2-yl)-1,2,4-triazole;3-methylidene-6-propan-2-yl-2H-pyridine;4-methyl-2-methylidene-7-propan-2-ylchromene;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);6-methyl-3-propan-2-yl-1,2-benzoxazole;3-methyl-6-propan-2-ylpyridazine;5-methyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine?
The InChIKey is FPBAANZJZHUAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O.C11H13NO.4C10H14.C9H11Cl.C9H17N3.2C9H13N.C9H12.C8H12N2.C8H11N/c1-9(2)12-5-6-13-10(3)7-11(4)15-14(13)8-12;1-7(2)11-9-5-4-8(3)6-10(9)13-12-11;2*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-5-3-4-6-9(8)10;1-6(2)9-11-10-8(5)12(9)7(3)4;2*1-7(2)9-5-4-8(3)6-10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-4-7(3)9-10-8;1-7(2)8-4-3-5-9-6-8/h5-9H,4H2,1-3H3;4-7H,1-3H3;4*4-8H,1-3H3;3-7H,1-2H3;6-7H,1-5H3;4-7H,1-3H3;4-5,7H,3,6H2,1-2H3;3-8H,1-2H3;4-6H,1-3H3;3-7H,1-2H3.
What are the key properties of 1-chloro-2-propan-2-ylbenzene;cumene;3-methyl-4,5-di(propan-2-yl)-1,2,4-triazole;3-methylidene-6-propan-2-yl-2H-pyridine;4-methyl-2-methylidene-7-propan-2-ylchromene;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);6-methyl-3-propan-2-yl-1,2-benzoxazole;3-methyl-6-propan-2-ylpyridazine;5-methyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine?
1-chloro-2-propan-2-ylbenzene;cumene;3-methyl-4,5-di(propan-2-yl)-1,2,4-triazole;3-methylidene-6-propan-2-yl-2H-pyridine;4-methyl-2-methylidene-7-propan-2-ylchromene;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);6-methyl-3-propan-2-yl-1,2-benzoxazole;3-methyl-6-propan-2-ylpyridazine;5-methyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine has a molecular weight of 1882.29 g/mol, XLogP of 37.25, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-propan-2-ylbenzene;cumene;3-methyl-4,5-di(propan-2-yl)-1,2,4-triazole;3-methylidene-6-propan-2-yl-2H-pyridine;4-methyl-2-methylidene-7-propan-2-ylchromene;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);6-methyl-3-propan-2-yl-1,2-benzoxazole;3-methyl-6-propan-2-ylpyridazine;5-methyl-2-propan-2-ylpyridine;3-propan-2-ylpyridine is sourced from PubChem (CID 163558347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).