1-(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid

C14H17ClO3 — CID 117425405

IUPAC1-(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1c(Cl)cc(C(C)C)c(O)c1C1(C(=O)O)CC1
InChIInChI=1S/C14H17ClO3/c1-7(2)9-6-10(15)8(3)11(12(9)16)14(4-5-14)13(17)18/h6-7,16H,4-5H2,1-3H3,(H,17,18)
InChIKeyKVMMRRYJTGGOID-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.59
Rot. Bonds3

About 1-(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid

1-(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117425405) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
PubChem CID117425405
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name1-(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1c(Cl)cc(C(C)C)c(O)c1C1(C(=O)O)CC1
InChIInChI=1S/C14H17ClO3/c1-7(2)9-6-10(15)8(3)11(12(9)16)14(4-5-14)13(17)18/h6-7,16H,4-5H2,1-3H3,(H,17,18)
InChIKeyKVMMRRYJTGGOID-UHFFFAOYSA-N
XLogP3.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2,3-dihydroxy-6-methylphenyl)cyclopentane-1-carboxylic acid
CID 117429684
2-(1-aminocyclobutyl)-4-chloro-3-methyl-6-propan-2-ylphenol
CID 117387590
1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117363584
2-(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)-2-oxoacetic acid
CID 117394923
1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117442710
1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117489788
1-(6-chloro-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117425446
1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
CID 117340569
1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid
CID 82285493
1-(2-chloro-5-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 84802653
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentane-1-carboxylic acid
CID 117481216
1-(3-chloro-5-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 117329375

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid (CID 117425405) is 1-(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid is Cc1c(Cl)cc(C(C)C)c(O)c1C1(C(=O)O)CC1.
What is the InChIKey of 1-(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is KVMMRRYJTGGOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-7(2)9-6-10(15)8(3)11(12(9)16)14(4-5-14)13(17)18/h6-7,16H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 1-(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid?
1-(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 268.74 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117425405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).