1-cyclohexyl-3-(3-methyl-1-phenylmethoxybutan-2-yl)benzene

C24H32O — CID 170756069

IUPAC1-cyclohexyl-3-(3-methyl-1-phenylmethoxybutan-2-yl)benzene
SMILESCC(C)C(COCc1ccccc1)c1cccc(C2CCCCC2)c1
InChIInChI=1S/C24H32O/c1-19(2)24(18-25-17-20-10-5-3-6-11-20)23-15-9-14-22(16-23)21-12-7-4-8-13-21/h3,5-6,9-11,14-16,19,21,24H,4,7-8,12-13,17-18H2,1-2H3
InChIKeyISKALXGUYARKNJ-UHFFFAOYSA-N
MW336.52 g/mol
LogP6.69
Rot. Bonds7

About 1-cyclohexyl-3-(3-methyl-1-phenylmethoxybutan-2-yl)benzene

1-cyclohexyl-3-(3-methyl-1-phenylmethoxybutan-2-yl)benzene (PubChem CID 170756069) has the molecular formula C24H32O and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-methyl-1-phenylmethoxybutan-2-yl)benzene.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-methyl-1-phenylmethoxybutan-2-yl)benzene
PubChem CID170756069
Molecular FormulaC24H32O
Molecular Weight336.52 g/mol
Exact Mass336.25
IUPAC Name1-cyclohexyl-3-(3-methyl-1-phenylmethoxybutan-2-yl)benzene
SMILESCC(C)C(COCc1ccccc1)c1cccc(C2CCCCC2)c1
InChIInChI=1S/C24H32O/c1-19(2)24(18-25-17-20-10-5-3-6-11-20)23-15-9-14-22(16-23)21-12-7-4-8-13-21/h3,5-6,9-11,14-16,19,21,24H,4,7-8,12-13,17-18H2,1-2H3
InChIKeyISKALXGUYARKNJ-UHFFFAOYSA-N
XLogP6.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-cyclohexyl-3-(3-methyl-1-phenylmethoxybutan-2-yl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-cyclohexylphenyl)-2-methylpropanoic acid
CID 115006126
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
1-(3-cyclohexylphenyl)propan-1-ol
CID 178189134
(3-cycloheptylphenyl)methanol
CID 84672634
N-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 79969399
(1-ethoxy-3-methylbutan-2-yl)benzene
CID 67083909
1-(3-cyclobutylphenyl)-2-methylbutan-1-amine
CID 114603023
[(2S)-1-[4-[(2S)-3,3-dimethyl-2-phenylbutoxy]butoxy]-3,3-dimethylbutan-2-yl]benzene;1-[[(2S)-3,3-dimethyl-2-phenylbutoxy]methyl]-4-[[(2S)-3-methyl-2-phenylbutoxy]methyl]benzene;sulfane
CID 159864893
1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine
CID 114603153
3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol
CID 116988907
1-cyclobutyl-3-(2-methylpropyl)benzene
CID 169137072
(2S)-2-(3-cyclopropylphenyl)propan-1-ol
CID 129077577

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-methyl-1-phenylmethoxybutan-2-yl)benzene?
The IUPAC name of 1-cyclohexyl-3-(3-methyl-1-phenylmethoxybutan-2-yl)benzene (CID 170756069) is 1-cyclohexyl-3-(3-methyl-1-phenylmethoxybutan-2-yl)benzene.
What is the SMILES notation for 1-cyclohexyl-3-(3-methyl-1-phenylmethoxybutan-2-yl)benzene?
The canonical SMILES for 1-cyclohexyl-3-(3-methyl-1-phenylmethoxybutan-2-yl)benzene is CC(C)C(COCc1ccccc1)c1cccc(C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-3-(3-methyl-1-phenylmethoxybutan-2-yl)benzene?
The InChIKey is ISKALXGUYARKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O/c1-19(2)24(18-25-17-20-10-5-3-6-11-20)23-15-9-14-22(16-23)21-12-7-4-8-13-21/h3,5-6,9-11,14-16,19,21,24H,4,7-8,12-13,17-18H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(3-methyl-1-phenylmethoxybutan-2-yl)benzene?
1-cyclohexyl-3-(3-methyl-1-phenylmethoxybutan-2-yl)benzene has a molecular weight of 336.52 g/mol, XLogP of 6.69, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-methyl-1-phenylmethoxybutan-2-yl)benzene is sourced from PubChem (CID 170756069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).