(4S)-4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-2-en-1-one

C18H24O — CID 98164579

IUPAC(4S)-4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-2-en-1-one
SMILESCc1ccc([C@H](C)CCC[C@@H]2C=CC(=O)CC2)cc1
InChIInChI=1S/C18H24O/c1-14-6-10-17(11-7-14)15(2)4-3-5-16-8-12-18(19)13-9-16/h6-8,10-12,15-16H,3-5,9,13H2,1-2H3/t15-,16-/m1/s1
InChIKeyDOFWKGUTKZRWQI-HZPDHXFCSA-N
MW256.39 g/mol
LogP4.80
Rot. Bonds5

About (4S)-4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-2-en-1-one

(4S)-4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-2-en-1-one (PubChem CID 98164579) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is (4S)-4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-2-en-1-one
PubChem CID98164579
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name(4S)-4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-2-en-1-one
SMILESCc1ccc([C@H](C)CCC[C@@H]2C=CC(=O)CC2)cc1
InChIInChI=1S/C18H24O/c1-14-6-10-17(11-7-14)15(2)4-3-5-16-8-12-18(19)13-9-16/h6-8,10-12,15-16H,3-5,9,13H2,1-2H3/t15-,16-/m1/s1
InChIKeyDOFWKGUTKZRWQI-HZPDHXFCSA-N
XLogP4.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4S)-4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-2-en-1-one 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

4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-3-en-1-one
CID 94037557
2-[4-(4-methylphenyl)pentoxy]oxane
CID 13212687
1-methyl-4-[3-(4-methylphenyl)butylsulfanyl]benzene
CID 146617256
(2S,4R)-4-(4-methylphenyl)pentan-2-amine
CID 11789769
1-methyl-4-(5-methyloctan-2-yl)benzene
CID 143286559
N-[2-(4-methylphenyl)propyl]cyclopentanamine
CID 115641829
1-methyl-4-(5-methylundecan-2-yl)benzene
CID 90908464
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
7-[3-(4-methylphenyl)butyl]-3-phenylcyclohepta-1,3,5-triene
CID 143188504
[1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol
CID 126669110
1-(11-ethyl-6-methylpentadecan-2-yl)-4-methylbenzene
CID 23516703
1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene
CID 164713773

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-2-en-1-one?
The IUPAC name of (4S)-4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-2-en-1-one (CID 98164579) is (4S)-4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-2-en-1-one.
What is the SMILES notation for (4S)-4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-2-en-1-one?
The canonical SMILES for (4S)-4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-2-en-1-one is Cc1ccc([C@H](C)CCC[C@@H]2C=CC(=O)CC2)cc1.
What is the InChIKey of (4S)-4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-2-en-1-one?
The InChIKey is DOFWKGUTKZRWQI-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H24O/c1-14-6-10-17(11-7-14)15(2)4-3-5-16-8-12-18(19)13-9-16/h6-8,10-12,15-16H,3-5,9,13H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of (4S)-4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-2-en-1-one?
(4S)-4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-2-en-1-one has a molecular weight of 256.39 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-2-en-1-one is sourced from PubChem (CID 98164579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).