2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid

C14H17ClO3 — CID 83928582

IUPAC2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(CC(C)C2CC2C(=O)O)cc1Cl
InChIInChI=1S/C14H17ClO3/c1-8(10-7-11(10)14(16)17)5-9-3-4-13(18-2)12(15)6-9/h3-4,6,8,10-11H,5,7H2,1-2H3,(H,16,17)
InChIKeyUOSDGIXSJWXKML-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.25
Rot. Bonds5

About 2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid

2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid (PubChem CID 83928582) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
PubChem CID83928582
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(CC(C)C2CC2C(=O)O)cc1Cl
InChIInChI=1S/C14H17ClO3/c1-8(10-7-11(10)14(16)17)5-9-3-4-13(18-2)12(15)6-9/h3-4,6,8,10-11H,5,7H2,1-2H3,(H,16,17)
InChIKeyUOSDGIXSJWXKML-UHFFFAOYSA-N
XLogP3.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928902
2-[1-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928708
2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83943685
2-[(3-chloro-4-methoxyphenyl)methyl]propanedioic acid
CID 82121039
2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83930911
3-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentanoic acid
CID 112509599
2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83925000
2-[(3-chloro-4-methoxyphenyl)-hydroxymethyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392547
2-[1-(2,5-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83931438
(3R,6S)-1,8-bis(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydroxyoctane-4,5-dione
CID 91056807
2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide
CID 116850489
3-[(3-chloro-4-methoxyphenyl)methylimino]-2-methylbutanoic acid
CID 123396657

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid (CID 83928582) is 2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid is COc1ccc(CC(C)C2CC2C(=O)O)cc1Cl.
What is the InChIKey of 2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The InChIKey is UOSDGIXSJWXKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-8(10-7-11(10)14(16)17)5-9-3-4-13(18-2)12(15)6-9/h3-4,6,8,10-11H,5,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid has a molecular weight of 268.74 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83928582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).