1-(4-cyclohexyl-3-methylbutyl)-2-phenylmethoxybenzene

C24H32O — CID 158571667

IUPAC1-(4-cyclohexyl-3-methylbutyl)-2-phenylmethoxybenzene
SMILESCC(CCc1ccccc1OCc1ccccc1)CC1CCCCC1
InChIInChI=1S/C24H32O/c1-20(18-21-10-4-2-5-11-21)16-17-23-14-8-9-15-24(23)25-19-22-12-6-3-7-13-22/h3,6-9,12-15,20-21H,2,4-5,10-11,16-19H2,1H3
InChIKeyHSDRZCXWIJCDKC-UHFFFAOYSA-N
MW336.52 g/mol
LogP6.80
Rot. Bonds8

About 1-(4-cyclohexyl-3-methylbutyl)-2-phenylmethoxybenzene

1-(4-cyclohexyl-3-methylbutyl)-2-phenylmethoxybenzene (PubChem CID 158571667) has the molecular formula C24H32O and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-(4-cyclohexyl-3-methylbutyl)-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(4-cyclohexyl-3-methylbutyl)-2-phenylmethoxybenzene
PubChem CID158571667
Molecular FormulaC24H32O
Molecular Weight336.52 g/mol
Exact Mass336.25
IUPAC Name1-(4-cyclohexyl-3-methylbutyl)-2-phenylmethoxybenzene
SMILESCC(CCc1ccccc1OCc1ccccc1)CC1CCCCC1
InChIInChI=1S/C24H32O/c1-20(18-21-10-4-2-5-11-21)16-17-23-14-8-9-15-24(23)25-19-22-12-6-3-7-13-22/h3,6-9,12-15,20-21H,2,4-5,10-11,16-19H2,1H3
InChIKeyHSDRZCXWIJCDKC-UHFFFAOYSA-N
XLogP6.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene
CID 160519985
1-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]-3-methylbutan-2-ol
CID 160819489
methyl 4-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]butanoate
CID 158877214
1-(3-cyclohexyloxy-5-methylhex-4-enyl)-2-phenylmethoxybenzene
CID 24881576
1-[4-(4,4-difluorocyclohexyl)-3-methylbutyl]-2-[(2-fluorophenyl)methoxy]benzene
CID 159673721
3-[3-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]propyl]-1H-benzimidazol-2-one
CID 161264480
4-[2-(2-phenylmethoxyphenyl)ethyl]piperidine
CID 142656770
(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
CID 51526703
N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride
CID 17207144
1-[(2R)-1-cyclohexylpropan-2-yl]-3-(2-phenylmethoxyphenoxy)-2H-pyrrol-5-one
CID 67490383
[(3R)-3-cyclohexylbutyl]benzene
CID 102579407
(S)-cyclopentyl-(2-phenylmethoxyphenyl)methanamine
CID 171233921

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-3-methylbutyl)-2-phenylmethoxybenzene?
The IUPAC name of 1-(4-cyclohexyl-3-methylbutyl)-2-phenylmethoxybenzene (CID 158571667) is 1-(4-cyclohexyl-3-methylbutyl)-2-phenylmethoxybenzene.
What is the SMILES notation for 1-(4-cyclohexyl-3-methylbutyl)-2-phenylmethoxybenzene?
The canonical SMILES for 1-(4-cyclohexyl-3-methylbutyl)-2-phenylmethoxybenzene is CC(CCc1ccccc1OCc1ccccc1)CC1CCCCC1.
What is the InChIKey of 1-(4-cyclohexyl-3-methylbutyl)-2-phenylmethoxybenzene?
The InChIKey is HSDRZCXWIJCDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O/c1-20(18-21-10-4-2-5-11-21)16-17-23-14-8-9-15-24(23)25-19-22-12-6-3-7-13-22/h3,6-9,12-15,20-21H,2,4-5,10-11,16-19H2,1H3.
What are the key properties of 1-(4-cyclohexyl-3-methylbutyl)-2-phenylmethoxybenzene?
1-(4-cyclohexyl-3-methylbutyl)-2-phenylmethoxybenzene has a molecular weight of 336.52 g/mol, XLogP of 6.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-3-methylbutyl)-2-phenylmethoxybenzene is sourced from PubChem (CID 158571667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).