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

C11H11ClO2 — CID 83950160

IUPAC(E)-4-(3-chlorophenyl)pent-3-enoic acid
SMILESC/C(=C\CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C11H11ClO2/c1-8(5-6-11(13)14)9-3-2-4-10(12)7-9/h2-5,7H,6H2,1H3,(H,13,14)/b8-5+
InChIKeyVIBYSTDNEGAKNB-VMPITWQZSA-N
MW210.66 g/mol
LogP3.22
Rot. Bonds3

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

(E)-4-(3-chlorophenyl)pent-3-enoic acid (PubChem CID 83950160) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is (E)-4-(3-chlorophenyl)pent-3-enoic acid.

Molecular Properties

Compound Name(E)-4-(3-chlorophenyl)pent-3-enoic acid
PubChem CID83950160
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name(E)-4-(3-chlorophenyl)pent-3-enoic acid
SMILESC/C(=C\CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C11H11ClO2/c1-8(5-6-11(13)14)9-3-2-4-10(12)7-9/h2-5,7H,6H2,1H3,(H,13,14)/b8-5+
InChIKeyVIBYSTDNEGAKNB-VMPITWQZSA-N
XLogP3.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-4-(3-chlorophenyl)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

(E)-4-(3-chlorophenyl)hex-3-enoic acid
CID 83950159
1-[(E)-but-2-en-2-yl]-3-chlorobenzene
CID 20717800
2,8-diphenylnona-2,7-dien-5-one
CID 139864359
1-chloro-3-[(2E)-4-methylpenta-2,4-dien-2-yl]benzene
CID 143764224
1-(3-chlorophenyl)butane-1,3-dione
CID 15256966
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
acetic acid;1,3-dichlorobenzene;hydrate
CID 118105432
benzoic acid;3-chlorobenzoic acid
CID 162034638
1,3-dichlorobenzene;2-fluoroacetic acid;N-methylmethanamine
CID 174957029
4-(4-methoxyphenyl)pent-3-enoic acid
CID 57142531
2-[(3-chlorobenzoyl)-ethylamino]acetic acid
CID 61021485
3-(3-chlorophenyl)-2-fluoropent-2-enoic acid
CID 79729003

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-chlorophenyl)pent-3-enoic acid?
The IUPAC name of (E)-4-(3-chlorophenyl)pent-3-enoic acid (CID 83950160) is (E)-4-(3-chlorophenyl)pent-3-enoic acid.
What is the SMILES notation for (E)-4-(3-chlorophenyl)pent-3-enoic acid?
The canonical SMILES for (E)-4-(3-chlorophenyl)pent-3-enoic acid is C/C(=C\CC(=O)O)c1cccc(Cl)c1.
What is the InChIKey of (E)-4-(3-chlorophenyl)pent-3-enoic acid?
The InChIKey is VIBYSTDNEGAKNB-VMPITWQZSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-8(5-6-11(13)14)9-3-2-4-10(12)7-9/h2-5,7H,6H2,1H3,(H,13,14)/b8-5+.
What are the key properties of (E)-4-(3-chlorophenyl)pent-3-enoic acid?
(E)-4-(3-chlorophenyl)pent-3-enoic acid has a molecular weight of 210.66 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-chlorophenyl)pent-3-enoic acid is sourced from PubChem (CID 83950160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).