(E)-3-(2-cyclopentyloxyphenyl)prop-2-enoic acid

C14H16O3 — CID 29017962

IUPAC(E)-3-(2-cyclopentyloxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccccc1OC1CCCC1
InChIInChI=1S/C14H16O3/c15-14(16)10-9-11-5-1-4-8-13(11)17-12-6-2-3-7-12/h1,4-5,8-10,12H,2-3,6-7H2,(H,15,16)/b10-9+
InChIKeyKHOTZEFKENMZJX-MDZDMXLPSA-N
MW232.28 g/mol
LogP3.11
Rot. Bonds4

About (E)-3-(2-cyclopentyloxyphenyl)prop-2-enoic acid

(E)-3-(2-cyclopentyloxyphenyl)prop-2-enoic acid (PubChem CID 29017962) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is (E)-3-(2-cyclopentyloxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2-cyclopentyloxyphenyl)prop-2-enoic acid
PubChem CID29017962
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name(E)-3-(2-cyclopentyloxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccccc1OC1CCCC1
InChIInChI=1S/C14H16O3/c15-14(16)10-9-11-5-1-4-8-13(11)17-12-6-2-3-7-12/h1,4-5,8-10,12H,2-3,6-7H2,(H,15,16)/b10-9+
InChIKeyKHOTZEFKENMZJX-MDZDMXLPSA-N
XLogP3.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(2-cyclopentyloxyphenyl)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-(5-bromo-2-cyclopentyloxyphenyl)prop-2-enoic acid
CID 57367608
(E)-3-(2-cycloheptyloxy-5-methylphenyl)prop-2-enoic acid
CID 82929173
3-(3-bromo-2-cyclopentyloxyphenyl)prop-2-enoic acid
CID 61392069
(E)-3-(2-chloro-6-cycloheptyloxyphenyl)prop-2-enoic acid
CID 82928444
3-(2-phenoxyphenyl)prop-2-enoic acid
CID 737422
(E)-3-(4-cyclopentyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 43147789
(E)-3-[2-[(3S)-1-benzoylpiperidin-3-yl]oxyphenyl]-N-hydroxyprop-2-enamide
CID 71620748
1,2-dicyclohexyloxybenzene
CID 67331328
3-(2-pent-4-enoxyphenyl)prop-2-enoic acid
CID 77034106
3-(3-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enoic acid
CID 79169558
(E)-3-(3-cycloheptyloxy-6-methyl-2-pyridinyl)prop-2-enoic acid
CID 82929379
bicyclo[2.2.1]hept-2-ene;3-(2-ethoxyphenyl)prop-2-enoic acid
CID 68745191

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-cyclopentyloxyphenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(2-cyclopentyloxyphenyl)prop-2-enoic acid (CID 29017962) is (E)-3-(2-cyclopentyloxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(2-cyclopentyloxyphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(2-cyclopentyloxyphenyl)prop-2-enoic acid is O=C(O)/C=C/c1ccccc1OC1CCCC1.
What is the InChIKey of (E)-3-(2-cyclopentyloxyphenyl)prop-2-enoic acid?
The InChIKey is KHOTZEFKENMZJX-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H16O3/c15-14(16)10-9-11-5-1-4-8-13(11)17-12-6-2-3-7-12/h1,4-5,8-10,12H,2-3,6-7H2,(H,15,16)/b10-9+.
What are the key properties of (E)-3-(2-cyclopentyloxyphenyl)prop-2-enoic acid?
(E)-3-(2-cyclopentyloxyphenyl)prop-2-enoic acid has a molecular weight of 232.28 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-cyclopentyloxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 29017962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).