1-[(2R)-2-cyclohexyl-4-methylpent-4-en-2-yl]-4-methoxybenzene

C19H28O — CID 146167639

IUPAC1-[(2R)-2-cyclohexyl-4-methylpent-4-en-2-yl]-4-methoxybenzene
SMILESC=C(C)C[C@@](C)(c1ccc(OC)cc1)C1CCCCC1
InChIInChI=1S/C19H28O/c1-15(2)14-19(3,16-8-6-5-7-9-16)17-10-12-18(20-4)13-11-17/h10-13,16H,1,5-9,14H2,2-4H3/t19-/m1/s1
InChIKeyNFKFBVUUXWKKPE-LJQANCHMSA-N
MW272.43 g/mol
LogP5.50
Rot. Bonds5

About 1-[(2R)-2-cyclohexyl-4-methylpent-4-en-2-yl]-4-methoxybenzene

1-[(2R)-2-cyclohexyl-4-methylpent-4-en-2-yl]-4-methoxybenzene (PubChem CID 146167639) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-[(2R)-2-cyclohexyl-4-methylpent-4-en-2-yl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(2R)-2-cyclohexyl-4-methylpent-4-en-2-yl]-4-methoxybenzene
PubChem CID146167639
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name1-[(2R)-2-cyclohexyl-4-methylpent-4-en-2-yl]-4-methoxybenzene
SMILESC=C(C)C[C@@](C)(c1ccc(OC)cc1)C1CCCCC1
InChIInChI=1S/C19H28O/c1-15(2)14-19(3,16-8-6-5-7-9-16)17-10-12-18(20-4)13-11-17/h10-13,16H,1,5-9,14H2,2-4H3/t19-/m1/s1
InChIKeyNFKFBVUUXWKKPE-LJQANCHMSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(2R)-2-cyclohexyl-4-methylpent-4-en-2-yl]-4-methoxybenzene 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

Anethole
CID 637563
Estragole
CID 8815
Methoxychlor
CID 4115
Bisphenol A diglycidyl ether
CID 2286
Etofenprox
CID 71245
Chlorotrianisene
CID 11289
4-Methylanisole
CID 7731
2-Methoxynaphthalene
CID 7119
p-tert-Butylphenyl glycidyl ether
CID 18360
Terameprocol
CID 476861
cis-Anethole
CID 1549040
Thymyl methyl ether
CID 14104

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyclohexyl-4-methylpent-4-en-2-yl]-4-methoxybenzene?
The IUPAC name of 1-[(2R)-2-cyclohexyl-4-methylpent-4-en-2-yl]-4-methoxybenzene (CID 146167639) is 1-[(2R)-2-cyclohexyl-4-methylpent-4-en-2-yl]-4-methoxybenzene.
What is the SMILES notation for 1-[(2R)-2-cyclohexyl-4-methylpent-4-en-2-yl]-4-methoxybenzene?
The canonical SMILES for 1-[(2R)-2-cyclohexyl-4-methylpent-4-en-2-yl]-4-methoxybenzene is C=C(C)C[C@@](C)(c1ccc(OC)cc1)C1CCCCC1.
What is the InChIKey of 1-[(2R)-2-cyclohexyl-4-methylpent-4-en-2-yl]-4-methoxybenzene?
The InChIKey is NFKFBVUUXWKKPE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28O/c1-15(2)14-19(3,16-8-6-5-7-9-16)17-10-12-18(20-4)13-11-17/h10-13,16H,1,5-9,14H2,2-4H3/t19-/m1/s1.
What are the key properties of 1-[(2R)-2-cyclohexyl-4-methylpent-4-en-2-yl]-4-methoxybenzene?
1-[(2R)-2-cyclohexyl-4-methylpent-4-en-2-yl]-4-methoxybenzene has a molecular weight of 272.43 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-cyclohexyl-4-methylpent-4-en-2-yl]-4-methoxybenzene is sourced from PubChem (CID 146167639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).