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

C16H18O3 — CID 174112793

IUPAC(3-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate
SMILESC=Cc1ccc(O)c(C(=O)OC2C=C(C)CCC2)c1
InChIInChI=1S/C16H18O3/c1-3-12-7-8-15(17)14(10-12)16(18)19-13-6-4-5-11(2)9-13/h3,7-10,13,17H,1,4-6H2,2H3
InChIKeyINLHXKZTLMGDRL-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.69
Rot. Bonds3

About (3-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate

(3-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate (PubChem CID 174112793) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (3-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate.

Molecular Properties

Compound Name(3-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate
PubChem CID174112793
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name(3-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate
SMILESC=Cc1ccc(O)c(C(=O)OC2C=C(C)CCC2)c1
InChIInChI=1S/C16H18O3/c1-3-12-7-8-15(17)14(10-12)16(18)19-13-6-4-5-11(2)9-13/h3,7-10,13,17H,1,4-6H2,2H3
InChIKeyINLHXKZTLMGDRL-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'}

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate?
The IUPAC name of (3-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate (CID 174112793) is (3-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate.
What is the SMILES notation for (3-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate?
The canonical SMILES for (3-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate is C=Cc1ccc(O)c(C(=O)OC2C=C(C)CCC2)c1.
What is the InChIKey of (3-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate?
The InChIKey is INLHXKZTLMGDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-3-12-7-8-15(17)14(10-12)16(18)19-13-6-4-5-11(2)9-13/h3,7-10,13,17H,1,4-6H2,2H3.
What are the key properties of (3-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate?
(3-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 (3-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate is sourced from PubChem (CID 174112793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).