5-(3-chlorophenyl)pent-4-enoic acid

C11H11ClO2 — CID 72993428

IUPAC5-(3-chlorophenyl)pent-4-enoic acid
SMILESO=C(O)CCC=Cc1cccc(Cl)c1
InChIInChI=1S/C11H11ClO2/c12-10-6-3-5-9(8-10)4-1-2-7-11(13)14/h1,3-6,8H,2,7H2,(H,13,14)
InChIKeyYJLVXIWTGZRYMS-UHFFFAOYSA-N
MW210.66 g/mol
LogP3.22
Rot. Bonds4

About 5-(3-chlorophenyl)pent-4-enoic acid

5-(3-chlorophenyl)pent-4-enoic acid (PubChem CID 72993428) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 5-(3-chlorophenyl)pent-4-enoic acid.

Molecular Properties

Compound Name5-(3-chlorophenyl)pent-4-enoic acid
PubChem CID72993428
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name5-(3-chlorophenyl)pent-4-enoic acid
SMILESO=C(O)CCC=Cc1cccc(Cl)c1
InChIInChI=1S/C11H11ClO2/c12-10-6-3-5-9(8-10)4-1-2-7-11(13)14/h1,3-6,8H,2,7H2,(H,13,14)
InChIKeyYJLVXIWTGZRYMS-UHFFFAOYSA-N
XLogP3.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

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Related Compounds

(E)-5-phenylpent-4-enoic acid
CID 5370650
5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid
CID 171372447
(Z)-4-(3-chlorophenyl)but-3-en-1-amine
CID 58679830
(E)-5-naphthalen-2-ylpent-4-enoic acid
CID 10263103
(E)-3-(3-chlorophenyl)prop-2-ene-1-sulfonic acid
CID 132533790
5-(3,4-dihydroxyphenyl)pent-4-enoic acid
CID 90882623
4-[3-(3-chlorophenyl)prop-2-enoylamino]butanoic acid
CID 74868291
5-(4-fluoro-3-methylphenyl)pent-4-enoic acid
CID 171372503
5-(4-chloro-3-methoxyphenyl)pent-4-enoic acid
CID 171372515
ethyl 4-(3-chlorophenyl)but-3-enoate
CID 170795542
5-(4-hydroxyphenyl)pent-4-enoic acid
CID 67881983
(2E)-2-[(E)-3-(3-chlorophenyl)prop-2-enoxy]iminopropanoic acid
CID 13041001

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)pent-4-enoic acid?
The IUPAC name of 5-(3-chlorophenyl)pent-4-enoic acid (CID 72993428) is 5-(3-chlorophenyl)pent-4-enoic acid.
What is the SMILES notation for 5-(3-chlorophenyl)pent-4-enoic acid?
The canonical SMILES for 5-(3-chlorophenyl)pent-4-enoic acid is O=C(O)CCC=Cc1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)pent-4-enoic acid?
The InChIKey is YJLVXIWTGZRYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c12-10-6-3-5-9(8-10)4-1-2-7-11(13)14/h1,3-6,8H,2,7H2,(H,13,14).
What are the key properties of 5-(3-chlorophenyl)pent-4-enoic acid?
5-(3-chlorophenyl)pent-4-enoic acid has a molecular weight of 210.66 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)pent-4-enoic acid is sourced from PubChem (CID 72993428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).