(1-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate

C16H18O3 — CID 170137242

IUPAC(1-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate
SMILESC=Cc1ccc(O)c(C(=O)OC2(C)C=CCCC2)c1
InChIInChI=1S/C16H18O3/c1-3-12-7-8-14(17)13(11-12)15(18)19-16(2)9-5-4-6-10-16/h3,5,7-9,11,17H,1,4,6,10H2,2H3
InChIKeyOLDJOYZFNZOGHP-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.69
Rot. Bonds3

About (1-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate

(1-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate (PubChem CID 170137242) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (1-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate.

Molecular Properties

Compound Name(1-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate
PubChem CID170137242
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name(1-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate
SMILESC=Cc1ccc(O)c(C(=O)OC2(C)C=CCCC2)c1
InChIInChI=1S/C16H18O3/c1-3-12-7-8-14(17)13(11-12)15(18)19-16(2)9-5-4-6-10-16/h3,5,7-9,11,17H,1,4,6,10H2,2H3
InChIKeyOLDJOYZFNZOGHP-UHFFFAOYSA-N
XLogP3.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate 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

[1-(4-fluorophenyl)cyclopentyl] 5-ethenyl-2-hydroxybenzoate
CID 164974517
(1-naphthalen-2-ylcyclopentyl) 5-ethenyl-2-hydroxybenzoate
CID 165100881
(1-methylcyclopentyl) 2-bromo-5-ethenylbenzoate
CID 176819971
(1-methylcyclopentyl) 4-ethenyl-2-methoxybenzoate
CID 170048804
(3-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate
CID 174112793
(1-methylcyclohex-2-en-1-yl) 2,2-dimethylbutanoate
CID 58937620
(1-prop-1-ynylcyclopentyl) 4-ethenyl-2-(hydroxymethyl)benzoate
CID 177132360
methyl 5-ethenyl-2-methylbenzoate
CID 10702422
3-methyl-3-propa-1,2-dienoxycyclohexene
CID 14961645
methyl 2-hydroxy-5-[1-[(4-hydroxy-3-methoxycarbonylphenyl)methylideneamino]ethenyliminomethyl]benzoate
CID 158303991
actinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol
CID 160848068
4-ethenylbenzene-1,2-diol;2,2,2-trichloroacetic acid
CID 175435134

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate?
The IUPAC name of (1-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate (CID 170137242) is (1-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate.
What is the SMILES notation for (1-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate?
The canonical SMILES for (1-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate is C=Cc1ccc(O)c(C(=O)OC2(C)C=CCCC2)c1.
What is the InChIKey of (1-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate?
The InChIKey is OLDJOYZFNZOGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-3-12-7-8-14(17)13(11-12)15(18)19-16(2)9-5-4-6-10-16/h3,5,7-9,11,17H,1,4,6,10H2,2H3.
What are the key properties of (1-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate?
(1-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate has a molecular weight of 258.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate is sourced from PubChem (CID 170137242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).