(E)-3-(4-hydroxy-3-propylphenyl)prop-2-enoic acid

C12H14O3 — CID 174480631

IUPAC(E)-3-(4-hydroxy-3-propylphenyl)prop-2-enoic acid
SMILESCCCc1cc(/C=C/C(=O)O)ccc1O
InChIInChI=1S/C12H14O3/c1-2-3-10-8-9(4-6-11(10)13)5-7-12(14)15/h4-8,13H,2-3H2,1H3,(H,14,15)/b7-5+
InChIKeyBWDCPQZPWXQQRB-FNORWQNLSA-N
MW206.24 g/mol
LogP2.44
Rot. Bonds4

About (E)-3-(4-hydroxy-3-propylphenyl)prop-2-enoic acid

(E)-3-(4-hydroxy-3-propylphenyl)prop-2-enoic acid (PubChem CID 174480631) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (E)-3-(4-hydroxy-3-propylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(4-hydroxy-3-propylphenyl)prop-2-enoic acid
PubChem CID174480631
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(E)-3-(4-hydroxy-3-propylphenyl)prop-2-enoic acid
SMILESCCCc1cc(/C=C/C(=O)O)ccc1O
InChIInChI=1S/C12H14O3/c1-2-3-10-8-9(4-6-11(10)13)5-7-12(14)15/h4-8,13H,2-3H2,1H3,(H,14,15)/b7-5+
InChIKeyBWDCPQZPWXQQRB-FNORWQNLSA-N
XLogP2.44
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(4-hydroxy-3-propylphenyl)prop-2-enoic acid 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

3-[4-hydroxy-3-(3-methylbut-3-enyl)phenyl]prop-2-enoic acid
CID 141464813
(Z)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
CID 58645080
4-hydroxy-3-propylbenzaldehyde
CID 57447725
acetic acid;3-(3,4-dihydroxyphenyl)prop-2-enoic acid
CID 159549195
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
CID 689043
3-[3-[5-(2-carboxyethenyl)-2-hydroxyphenyl]-4-hydroxyphenyl]prop-2-enoic acid
CID 73319213
3-(3,4-dihydroxyphenyl)prop-2-enoic acid;formic acid
CID 175480823
(E)-3-[4-methyl-3-(3-oxopropyl)phenyl]prop-2-enoic acid
CID 134628484
azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 25050146
2,2-bis(4-hydroxy-3-propylphenyl)propanoic acid
CID 139823282
3-[4-[3-(3-acetyl-4-hydroxy-5-propylphenoxy)propoxy]phenyl]prop-2-enoic acid
CID 70494588
ethanol;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 159734710

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxy-3-propylphenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(4-hydroxy-3-propylphenyl)prop-2-enoic acid (CID 174480631) is (E)-3-(4-hydroxy-3-propylphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(4-hydroxy-3-propylphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(4-hydroxy-3-propylphenyl)prop-2-enoic acid is CCCc1cc(/C=C/C(=O)O)ccc1O.
What is the InChIKey of (E)-3-(4-hydroxy-3-propylphenyl)prop-2-enoic acid?
The InChIKey is BWDCPQZPWXQQRB-FNORWQNLSA-N. The full InChI is InChI=1S/C12H14O3/c1-2-3-10-8-9(4-6-11(10)13)5-7-12(14)15/h4-8,13H,2-3H2,1H3,(H,14,15)/b7-5+.
What are the key properties of (E)-3-(4-hydroxy-3-propylphenyl)prop-2-enoic acid?
(E)-3-(4-hydroxy-3-propylphenyl)prop-2-enoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxy-3-propylphenyl)prop-2-enoic acid is sourced from PubChem (CID 174480631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).