2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid

C13H11ClO3 — CID 82119352

IUPAC2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid
SMILESCc1ccc(-c2ccc(CC(=O)O)o2)cc1Cl
InChIInChI=1S/C13H11ClO3/c1-8-2-3-9(6-11(8)14)12-5-4-10(17-12)7-13(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyJPBFHDRYMOQSGM-UHFFFAOYSA-N
MW250.68 g/mol
LogP3.54
Rot. Bonds3

About 2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid

2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid (PubChem CID 82119352) has the molecular formula C13H11ClO3 and a molecular weight of 250.68 g/mol. Its IUPAC name is 2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid
PubChem CID82119352
Molecular FormulaC13H11ClO3
Molecular Weight250.68 g/mol
Exact Mass250.04
IUPAC Name2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid
SMILESCc1ccc(-c2ccc(CC(=O)O)o2)cc1Cl
InChIInChI=1S/C13H11ClO3/c1-8-2-3-9(6-11(8)14)12-5-4-10(17-12)7-13(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyJPBFHDRYMOQSGM-UHFFFAOYSA-N
XLogP3.54
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(3-bromo-4-methylphenyl)furan-2-yl]acetic acid
CID 82124548
5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
2-[5-(3-methylphenyl)furan-2-yl]acetic acid
CID 35754290
2-[5-(3-chloro-2-methylphenyl)furan-2-yl]acetic acid
CID 82119349
3-[5-(carboxymethyl)furan-2-yl]benzoic acid
CID 84756413
2-cyclopenta[b]pyran-2-ylacetic acid
CID 57367990
2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 106817926
N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 5436996
N-(3-chloro-4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide
CID 22587398
4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
CID 28914790
5-(3-chloro-4-methylphenyl)furan-2-carbothioamide
CID 82119574
3-[5-(3-chloro-4-fluorophenyl)furan-2-yl]propanoic acid
CID 155486740

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid?
The IUPAC name of 2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid (CID 82119352) is 2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid?
The canonical SMILES for 2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid is Cc1ccc(-c2ccc(CC(=O)O)o2)cc1Cl.
What is the InChIKey of 2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid?
The InChIKey is JPBFHDRYMOQSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3/c1-8-2-3-9(6-11(8)14)12-5-4-10(17-12)7-13(15)16/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid?
2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid has a molecular weight of 250.68 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid is sourced from PubChem (CID 82119352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).