1,4-bis(cyclohexylmethyl)-2-methylbenzene

C21H32 — CID 154475769

IUPAC1,4-bis(cyclohexylmethyl)-2-methylbenzene
SMILESCc1cc(CC2CCCCC2)ccc1CC1CCCCC1
InChIInChI=1S/C21H32/c1-17-14-20(15-18-8-4-2-5-9-18)12-13-21(17)16-19-10-6-3-7-11-19/h12-14,18-19H,2-11,15-16H2,1H3
InChIKeyHFCIEPKKQXSQHB-UHFFFAOYSA-N
MW284.49 g/mol
LogP6.24
Rot. Bonds4

About 1,4-bis(cyclohexylmethyl)-2-methylbenzene

1,4-bis(cyclohexylmethyl)-2-methylbenzene (PubChem CID 154475769) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is 1,4-bis(cyclohexylmethyl)-2-methylbenzene.

Molecular Properties

Compound Name1,4-bis(cyclohexylmethyl)-2-methylbenzene
PubChem CID154475769
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name1,4-bis(cyclohexylmethyl)-2-methylbenzene
SMILESCc1cc(CC2CCCCC2)ccc1CC1CCCCC1
InChIInChI=1S/C21H32/c1-17-14-20(15-18-8-4-2-5-9-18)12-13-21(17)16-19-10-6-3-7-11-19/h12-14,18-19H,2-11,15-16H2,1H3
InChIKeyHFCIEPKKQXSQHB-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2-methyl-4-propylphenyl)methylcycloheptane
CID 123992425
1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene
CID 59821631
1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
1-(cyclopropylmethyl)-2,4-dimethylbenzene
CID 156717993
1,3,5-tris(cyclohexylmethyl)benzene
CID 157164571
4-(cyclopropylmethyl)-2-methylaniline
CID 131504223
4-bromo-2-(cyclohexylmethyl)-1-methylbenzene
CID 126628314
2-(cycloheptylmethyl)-5-methylaniline
CID 105471815
[4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine
CID 114479387
2-[3-[4-(cyclopentylmethyl)-3-methylphenyl]propyl]-4-methyl-3-methylidenepent-4-en-1-amine
CID 166963532
1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene
CID 91363627
1-[4-(cyclooctylmethyl)phenyl]ethanone
CID 154098727

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(cyclohexylmethyl)-2-methylbenzene?
The IUPAC name of 1,4-bis(cyclohexylmethyl)-2-methylbenzene (CID 154475769) is 1,4-bis(cyclohexylmethyl)-2-methylbenzene.
What is the SMILES notation for 1,4-bis(cyclohexylmethyl)-2-methylbenzene?
The canonical SMILES for 1,4-bis(cyclohexylmethyl)-2-methylbenzene is Cc1cc(CC2CCCCC2)ccc1CC1CCCCC1.
What is the InChIKey of 1,4-bis(cyclohexylmethyl)-2-methylbenzene?
The InChIKey is HFCIEPKKQXSQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32/c1-17-14-20(15-18-8-4-2-5-9-18)12-13-21(17)16-19-10-6-3-7-11-19/h12-14,18-19H,2-11,15-16H2,1H3.
What are the key properties of 1,4-bis(cyclohexylmethyl)-2-methylbenzene?
1,4-bis(cyclohexylmethyl)-2-methylbenzene has a molecular weight of 284.49 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(cyclohexylmethyl)-2-methylbenzene is sourced from PubChem (CID 154475769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).