2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone

C15H18O — CID 162401384

IUPAC2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)C[C@H]2CC=CCC2)cc1
InChIInChI=1S/C15H18O/c1-12-7-9-14(10-8-12)15(16)11-13-5-3-2-4-6-13/h2-3,7-10,13H,4-6,11H2,1H3/t13-/m0/s1
InChIKeyUQQVAWHSWRZROM-ZDUSSCGKSA-N
MW214.31 g/mol
LogP3.92
Rot. Bonds3

About 2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone

2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone (PubChem CID 162401384) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone
PubChem CID162401384
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)C[C@H]2CC=CCC2)cc1
InChIInChI=1S/C15H18O/c1-12-7-9-14(10-8-12)15(16)11-13-5-3-2-4-6-13/h2-3,7-10,13H,4-6,11H2,1H3/t13-/m0/s1
InChIKeyUQQVAWHSWRZROM-ZDUSSCGKSA-N
XLogP3.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohex-3-en-1-ylmethyl)-4-methylbenzene
CID 158604020
1-(4-methylphenyl)-2-piperidin-3-ylethanone
CID 84683077
methyl 2-cyclohex-3-en-1-ylacetate
CID 12739784
N-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide
CID 26348614
1-cyclohex-3-en-1-yl-N-[(5-methyl-2-pyridinyl)methyl]methanamine
CID 80709369
2-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-methylphenol
CID 63325012
5-[(4-methylphenyl)methyl]cycloheptene
CID 142080732
N-cyclohex-3-en-1-yl-4-methyl-N-propan-2-ylbenzamide
CID 91381283
5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide
CID 102705456
N-[4-[(cyclohex-3-en-1-ylmethylamino)methyl]phenyl]acetamide
CID 47019375
N-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide
CID 43200802
1-cyclohex-3-en-1-ylpent-4-en-2-one
CID 12734511

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone (CID 162401384) is 2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)C[C@H]2CC=CCC2)cc1.
What is the InChIKey of 2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone?
The InChIKey is UQQVAWHSWRZROM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18O/c1-12-7-9-14(10-8-12)15(16)11-13-5-3-2-4-6-13/h2-3,7-10,13H,4-6,11H2,1H3/t13-/m0/s1.
What are the key properties of 2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone?
2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone has a molecular weight of 214.31 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 162401384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).