2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid

C12H13ClO3 — CID 84800621

IUPAC2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid
SMILESCc1cc(O)cc(C2(CC(=O)O)CC2)c1Cl
InChIInChI=1S/C12H13ClO3/c1-7-4-8(14)5-9(11(7)13)12(2-3-12)6-10(15)16/h4-5,14H,2-3,6H2,1H3,(H,15,16)
InChIKeyQLYDQDQKLSFHBU-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.86
Rot. Bonds3

About 2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid

2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid (PubChem CID 84800621) has the molecular formula C12H13ClO3 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid
PubChem CID84800621
Molecular FormulaC12H13ClO3
Molecular Weight240.69 g/mol
Exact Mass240.06
IUPAC Name2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid
SMILESCc1cc(O)cc(C2(CC(=O)O)CC2)c1Cl
InChIInChI=1S/C12H13ClO3/c1-7-4-8(14)5-9(11(7)13)12(2-3-12)6-10(15)16/h4-5,14H,2-3,6H2,1H3,(H,15,16)
InChIKeyQLYDQDQKLSFHBU-UHFFFAOYSA-N
XLogP2.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84799380
2-[1-(2-chloro-5-methoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117389825
2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid
CID 84789847
2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid
CID 84809237
2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117389898
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
3-[1-(carboxymethyl)cyclopropyl]-4,5-dimethylbenzoic acid
CID 117373292
3-(1-aminocyclopropyl)-4-chloro-5-methylphenol
CID 84774677
2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid
CID 84812580
2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84788583
2-[1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117379802
2-[1-(2,3-dimethyl-5-methylsulfonylphenyl)cyclopropyl]acetic acid
CID 117453870

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid (CID 84800621) is 2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid is Cc1cc(O)cc(C2(CC(=O)O)CC2)c1Cl.
What is the InChIKey of 2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid?
The InChIKey is QLYDQDQKLSFHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO3/c1-7-4-8(14)5-9(11(7)13)12(2-3-12)6-10(15)16/h4-5,14H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid?
2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid has a molecular weight of 240.69 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 84800621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).