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

C13H11ClO3 — CID 82119349

IUPAC2-[5-(3-chloro-2-methylphenyl)furan-2-yl]acetic acid
SMILESCc1c(Cl)cccc1-c1ccc(CC(=O)O)o1
InChIInChI=1S/C13H11ClO3/c1-8-10(3-2-4-11(8)14)12-6-5-9(17-12)7-13(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyAPCFZYYEXWFGPE-UHFFFAOYSA-N
MW250.68 g/mol
LogP3.54
Rot. Bonds3

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

2-[5-(3-chloro-2-methylphenyl)furan-2-yl]acetic acid (PubChem CID 82119349) has the molecular formula C13H11ClO3 and a molecular weight of 250.68 g/mol. Its IUPAC name is 2-[5-(3-chloro-2-methylphenyl)furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-chloro-2-methylphenyl)furan-2-yl]acetic acid
PubChem CID82119349
Molecular FormulaC13H11ClO3
Molecular Weight250.68 g/mol
Exact Mass250.04
IUPAC Name2-[5-(3-chloro-2-methylphenyl)furan-2-yl]acetic acid
SMILESCc1c(Cl)cccc1-c1ccc(CC(=O)O)o1
InChIInChI=1S/C13H11ClO3/c1-8-10(3-2-4-11(8)14)12-6-5-9(17-12)7-13(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyAPCFZYYEXWFGPE-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

3-[5-(3-chloro-2-methylphenyl)furan-2-yl]propanamide
CID 91686842
2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid
CID 82119352
2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid
CID 123817311
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine
CID 4724269
(1S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol
CID 8636993
1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]propan-2-one
CID 103481074
[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8636961
(1S,2R)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8636969
(1S,2S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8636962
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 4725309
1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63085456
2-[5-(3-methylphenyl)furan-2-yl]acetic acid
CID 35754290

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chloro-2-methylphenyl)furan-2-yl]acetic acid?
The IUPAC name of 2-[5-(3-chloro-2-methylphenyl)furan-2-yl]acetic acid (CID 82119349) is 2-[5-(3-chloro-2-methylphenyl)furan-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(3-chloro-2-methylphenyl)furan-2-yl]acetic acid?
The canonical SMILES for 2-[5-(3-chloro-2-methylphenyl)furan-2-yl]acetic acid is Cc1c(Cl)cccc1-c1ccc(CC(=O)O)o1.
What is the InChIKey of 2-[5-(3-chloro-2-methylphenyl)furan-2-yl]acetic acid?
The InChIKey is APCFZYYEXWFGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3/c1-8-10(3-2-4-11(8)14)12-6-5-9(17-12)7-13(15)16/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 2-[5-(3-chloro-2-methylphenyl)furan-2-yl]acetic acid?
2-[5-(3-chloro-2-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-2-methylphenyl)furan-2-yl]acetic acid is sourced from PubChem (CID 82119349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).