3-(4-hydroxy-3-propoxyphenyl)pent-2-enoic acid

C14H18O4 — CID 70409863

IUPAC3-(4-hydroxy-3-propoxyphenyl)pent-2-enoic acid
SMILESCCCOc1cc(C(=CC(=O)O)CC)ccc1O
InChIInChI=1S/C14H18O4/c1-3-7-18-13-8-11(5-6-12(13)15)10(4-2)9-14(16)17/h5-6,8-9,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyZKQWBBCPKGDZQJ-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.06
Rot. Bonds6

About 3-(4-hydroxy-3-propoxyphenyl)pent-2-enoic acid

3-(4-hydroxy-3-propoxyphenyl)pent-2-enoic acid (PubChem CID 70409863) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-(4-hydroxy-3-propoxyphenyl)pent-2-enoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-3-propoxyphenyl)pent-2-enoic acid
PubChem CID70409863
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name3-(4-hydroxy-3-propoxyphenyl)pent-2-enoic acid
SMILESCCCOc1cc(C(=CC(=O)O)CC)ccc1O
InChIInChI=1S/C14H18O4/c1-3-7-18-13-8-11(5-6-12(13)15)10(4-2)9-14(16)17/h5-6,8-9,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyZKQWBBCPKGDZQJ-UHFFFAOYSA-N
XLogP3.06
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-hydroxy-3-propoxyphenyl)pent-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-butanoyloxy-3-propoxyphenyl)pent-2-enoic acid
CID 70409104
(E)-3-(3,4-dipropoxyphenyl)hex-2-enoic acid
CID 83957950
3-(4-hydroxy-3-methoxyphenyl)hex-2-enoic acid
CID 70408350
4-[(E)-1-carboxybut-1-en-2-yl]benzoic acid
CID 83959454
[2-(dimethylamino)-3-methylpentyl] 4-hydroxy-3-propoxybenzoate
CID 74948625
3-(4-butanoyloxyphenyl)pent-2-enoic acid
CID 70347835
4-[2-(4-hydroxy-3-pentoxyphenyl)ethenyl]benzoic acid
CID 139791563
(E)-3-(5-bromo-2-propoxyphenyl)hex-2-enoic acid
CID 83958149
(E)-3-(4-ethoxy-3-methoxyphenyl)hex-2-enoic acid
CID 83958708
4-iodo-3-propoxybenzoic acid
CID 68960644
4-hydroxy-3-propoxybenzonitrile
CID 142309388
4-hydroxy-3-pent-2-en-3-yloxybenzoic acid
CID 123883696

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-propoxyphenyl)pent-2-enoic acid?
The IUPAC name of 3-(4-hydroxy-3-propoxyphenyl)pent-2-enoic acid (CID 70409863) is 3-(4-hydroxy-3-propoxyphenyl)pent-2-enoic acid.
What is the SMILES notation for 3-(4-hydroxy-3-propoxyphenyl)pent-2-enoic acid?
The canonical SMILES for 3-(4-hydroxy-3-propoxyphenyl)pent-2-enoic acid is CCCOc1cc(C(=CC(=O)O)CC)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-propoxyphenyl)pent-2-enoic acid?
The InChIKey is ZKQWBBCPKGDZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-7-18-13-8-11(5-6-12(13)15)10(4-2)9-14(16)17/h5-6,8-9,15H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 3-(4-hydroxy-3-propoxyphenyl)pent-2-enoic acid?
3-(4-hydroxy-3-propoxyphenyl)pent-2-enoic acid has a molecular weight of 250.29 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-propoxyphenyl)pent-2-enoic acid is sourced from PubChem (CID 70409863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).