1-[3-methyl-4-[4-(2-methylphenyl)cyclohexyl]phenyl]-3-(2-propylphenyl)propan-1-one

C32H38O — CID 123234796

IUPAC1-[3-methyl-4-[4-(2-methylphenyl)cyclohexyl]phenyl]-3-(2-propylphenyl)propan-1-one
SMILESCCCc1ccccc1CCC(=O)c1ccc(C2CCC(c3ccccc3C)CC2)c(C)c1
InChIInChI=1S/C32H38O/c1-4-9-25-11-6-7-12-26(25)19-21-32(33)29-18-20-31(24(3)22-29)28-16-14-27(15-17-28)30-13-8-5-10-23(30)2/h5-8,10-13,18,20,22,27-28H,4,9,14-17,19,21H2,1-3H3
InChIKeyPLXZMJXYVMXRPK-UHFFFAOYSA-N
MW438.66 g/mol
LogP8.51
Rot. Bonds8

About 1-[3-methyl-4-[4-(2-methylphenyl)cyclohexyl]phenyl]-3-(2-propylphenyl)propan-1-one

1-[3-methyl-4-[4-(2-methylphenyl)cyclohexyl]phenyl]-3-(2-propylphenyl)propan-1-one (PubChem CID 123234796) has the molecular formula C32H38O and a molecular weight of 438.66 g/mol. Its IUPAC name is 1-[3-methyl-4-[4-(2-methylphenyl)cyclohexyl]phenyl]-3-(2-propylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[3-methyl-4-[4-(2-methylphenyl)cyclohexyl]phenyl]-3-(2-propylphenyl)propan-1-one
PubChem CID123234796
Molecular FormulaC32H38O
Molecular Weight438.66 g/mol
Exact Mass438.29
IUPAC Name1-[3-methyl-4-[4-(2-methylphenyl)cyclohexyl]phenyl]-3-(2-propylphenyl)propan-1-one
SMILESCCCc1ccccc1CCC(=O)c1ccc(C2CCC(c3ccccc3C)CC2)c(C)c1
InChIInChI=1S/C32H38O/c1-4-9-25-11-6-7-12-26(25)19-21-32(33)29-18-20-31(24(3)22-29)28-16-14-27(15-17-28)30-13-8-5-10-23(30)2/h5-8,10-13,18,20,22,27-28H,4,9,14-17,19,21H2,1-3H3
InChIKeyPLXZMJXYVMXRPK-UHFFFAOYSA-N
XLogP8.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,3-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one
CID 24726242
3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one
CID 105094898
1-(4-cyclopropyloxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 105134381
1-[4-[2-[3-methyl-4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]octan-1-one
CID 19007965
3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725641
3-[3-(2-methylphenyl)propanoyl]benzonitrile
CID 24725616
N-[5-(5-ethylideneoct-7-enoyl)-2-[4-(2-methylphenyl)cyclohexyl]phenyl]cyclopropanecarboxamide
CID 123618324
N-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline
CID 43687449
3-[2-(4-methylcyclopenta-1,3-dien-1-yl)-2-oxoethyl]-4-[4-(2-methylphenyl)cyclohexyl]benzaldehyde
CID 144513635
4-[3-[4-(2-methylphenyl)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119184332
4-(4-methyl-3-propylphenyl)-4-oxobutanamide
CID 71160980
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 91755550

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-[4-(2-methylphenyl)cyclohexyl]phenyl]-3-(2-propylphenyl)propan-1-one?
The IUPAC name of 1-[3-methyl-4-[4-(2-methylphenyl)cyclohexyl]phenyl]-3-(2-propylphenyl)propan-1-one (CID 123234796) is 1-[3-methyl-4-[4-(2-methylphenyl)cyclohexyl]phenyl]-3-(2-propylphenyl)propan-1-one.
What is the SMILES notation for 1-[3-methyl-4-[4-(2-methylphenyl)cyclohexyl]phenyl]-3-(2-propylphenyl)propan-1-one?
The canonical SMILES for 1-[3-methyl-4-[4-(2-methylphenyl)cyclohexyl]phenyl]-3-(2-propylphenyl)propan-1-one is CCCc1ccccc1CCC(=O)c1ccc(C2CCC(c3ccccc3C)CC2)c(C)c1.
What is the InChIKey of 1-[3-methyl-4-[4-(2-methylphenyl)cyclohexyl]phenyl]-3-(2-propylphenyl)propan-1-one?
The InChIKey is PLXZMJXYVMXRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O/c1-4-9-25-11-6-7-12-26(25)19-21-32(33)29-18-20-31(24(3)22-29)28-16-14-27(15-17-28)30-13-8-5-10-23(30)2/h5-8,10-13,18,20,22,27-28H,4,9,14-17,19,21H2,1-3H3.
What are the key properties of 1-[3-methyl-4-[4-(2-methylphenyl)cyclohexyl]phenyl]-3-(2-propylphenyl)propan-1-one?
1-[3-methyl-4-[4-(2-methylphenyl)cyclohexyl]phenyl]-3-(2-propylphenyl)propan-1-one has a molecular weight of 438.66 g/mol, XLogP of 8.51, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-[4-(2-methylphenyl)cyclohexyl]phenyl]-3-(2-propylphenyl)propan-1-one is sourced from PubChem (CID 123234796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).