[4-[(Z)-prop-1-enyl]phenyl] 2-hydroxybenzoate

C16H14O3 — CID 70304294

IUPAC[4-[(Z)-prop-1-enyl]phenyl] 2-hydroxybenzoate
SMILESC/C=C\c1ccc(OC(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H14O3/c1-2-5-12-8-10-13(11-9-12)19-16(18)14-6-3-4-7-15(14)17/h2-11,17H,1H3/b5-2-
InChIKeyNORUOMLCLAGATK-DJWKRKHSSA-N
MW254.28 g/mol
LogP3.64
Rot. Bonds3

About [4-[(Z)-prop-1-enyl]phenyl] 2-hydroxybenzoate

[4-[(Z)-prop-1-enyl]phenyl] 2-hydroxybenzoate (PubChem CID 70304294) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is [4-[(Z)-prop-1-enyl]phenyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[4-[(Z)-prop-1-enyl]phenyl] 2-hydroxybenzoate
PubChem CID70304294
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name[4-[(Z)-prop-1-enyl]phenyl] 2-hydroxybenzoate
SMILESC/C=C\c1ccc(OC(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H14O3/c1-2-5-12-8-10-13(11-9-12)19-16(18)14-6-3-4-7-15(14)17/h2-11,17H,1H3/b5-2-
InChIKeyNORUOMLCLAGATK-DJWKRKHSSA-N
XLogP3.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 163412075
2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury
CID 174770539
benzene-1,4-diol;tris(2-hydroxybenzoic acid);phenyl 2-hydroxybenzoate
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(3,5-dichlorophenyl) 2-hydroxybenzoate
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[4-[(E)-prop-1-enyl]phenyl] 2-methoxy-2-methylpropanoate
CID 6365975
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CID 122185034

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-prop-1-enyl]phenyl] 2-hydroxybenzoate?
The IUPAC name of [4-[(Z)-prop-1-enyl]phenyl] 2-hydroxybenzoate (CID 70304294) is [4-[(Z)-prop-1-enyl]phenyl] 2-hydroxybenzoate.
What is the SMILES notation for [4-[(Z)-prop-1-enyl]phenyl] 2-hydroxybenzoate?
The canonical SMILES for [4-[(Z)-prop-1-enyl]phenyl] 2-hydroxybenzoate is C/C=C\c1ccc(OC(=O)c2ccccc2O)cc1.
What is the InChIKey of [4-[(Z)-prop-1-enyl]phenyl] 2-hydroxybenzoate?
The InChIKey is NORUOMLCLAGATK-DJWKRKHSSA-N. The full InChI is InChI=1S/C16H14O3/c1-2-5-12-8-10-13(11-9-12)19-16(18)14-6-3-4-7-15(14)17/h2-11,17H,1H3/b5-2-.
What are the key properties of [4-[(Z)-prop-1-enyl]phenyl] 2-hydroxybenzoate?
[4-[(Z)-prop-1-enyl]phenyl] 2-hydroxybenzoate has a molecular weight of 254.28 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-prop-1-enyl]phenyl] 2-hydroxybenzoate is sourced from PubChem (CID 70304294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).