(E)-4-(4-pentoxyphenyl)pent-3-enoic acid

C16H22O3 — CID 83957997

IUPAC(E)-4-(4-pentoxyphenyl)pent-3-enoic acid
SMILESCCCCCOc1ccc(/C(C)=C/CC(=O)O)cc1
InChIInChI=1S/C16H22O3/c1-3-4-5-12-19-15-9-7-14(8-10-15)13(2)6-11-16(17)18/h6-10H,3-5,11-12H2,1-2H3,(H,17,18)/b13-6+
InChIKeyONPMIUPVWARIQR-AWNIVKPZSA-N
MW262.35 g/mol
LogP4.13
Rot. Bonds8

About (E)-4-(4-pentoxyphenyl)pent-3-enoic acid

(E)-4-(4-pentoxyphenyl)pent-3-enoic acid (PubChem CID 83957997) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (E)-4-(4-pentoxyphenyl)pent-3-enoic acid.

Molecular Properties

Compound Name(E)-4-(4-pentoxyphenyl)pent-3-enoic acid
PubChem CID83957997
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(E)-4-(4-pentoxyphenyl)pent-3-enoic acid
SMILESCCCCCOc1ccc(/C(C)=C/CC(=O)O)cc1
InChIInChI=1S/C16H22O3/c1-3-4-5-12-19-15-9-7-14(8-10-15)13(2)6-11-16(17)18/h6-10H,3-5,11-12H2,1-2H3,(H,17,18)/b13-6+
InChIKeyONPMIUPVWARIQR-AWNIVKPZSA-N
XLogP4.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-(4-pentoxyphenyl)pent-3-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

4-(4-methoxyphenyl)pent-3-enoic acid
CID 57142531
ethane;4-octoxybenzoic acid
CID 144740890
3-(4-hexoxyphenyl)-3-oxopropanoic acid
CID 170886905
2-(4-docosoxyphenoxy)acetic acid
CID 139839551
1-(4-pentoxyphenyl)ethanone;1,4-xylene
CID 142206673
4-hexadecoxybenzenecarbothioic S-acid
CID 54096930
4-hexoxybenzenecarbothioic S-acid
CID 54321336
4-octoxybenzenecarbothioic S-acid
CID 54199647
(4-hexoxybenzoyl) 4-hexoxybenzoate
CID 71407529
1,4-dipentoxybenzene
CID 18314717
1-(4-butoxyphenyl)-2-methylpent-2-en-1-one
CID 175516980
4-(4-pentoxybenzoyl)oxybutanoic acid
CID 126733134

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-pentoxyphenyl)pent-3-enoic acid?
The IUPAC name of (E)-4-(4-pentoxyphenyl)pent-3-enoic acid (CID 83957997) is (E)-4-(4-pentoxyphenyl)pent-3-enoic acid.
What is the SMILES notation for (E)-4-(4-pentoxyphenyl)pent-3-enoic acid?
The canonical SMILES for (E)-4-(4-pentoxyphenyl)pent-3-enoic acid is CCCCCOc1ccc(/C(C)=C/CC(=O)O)cc1.
What is the InChIKey of (E)-4-(4-pentoxyphenyl)pent-3-enoic acid?
The InChIKey is ONPMIUPVWARIQR-AWNIVKPZSA-N. The full InChI is InChI=1S/C16H22O3/c1-3-4-5-12-19-15-9-7-14(8-10-15)13(2)6-11-16(17)18/h6-10H,3-5,11-12H2,1-2H3,(H,17,18)/b13-6+.
What are the key properties of (E)-4-(4-pentoxyphenyl)pent-3-enoic acid?
(E)-4-(4-pentoxyphenyl)pent-3-enoic acid has a molecular weight of 262.35 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-pentoxyphenyl)pent-3-enoic acid is sourced from PubChem (CID 83957997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).