1-(7-chloro-3-methoxynaphthalen-2-yl)cyclopropane-1-carboxylic acid

C15H13ClO3 — CID 117443353

IUPAC1-(7-chloro-3-methoxynaphthalen-2-yl)cyclopropane-1-carboxylic acid
SMILESCOc1cc2ccc(Cl)cc2cc1C1(C(=O)O)CC1
InChIInChI=1S/C15H13ClO3/c1-19-13-8-9-2-3-11(16)6-10(9)7-12(13)15(4-5-15)14(17)18/h2-3,6-8H,4-5H2,1H3,(H,17,18)
InChIKeyHARGRWZFUSRDNU-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.62
Rot. Bonds3

About 1-(7-chloro-3-methoxynaphthalen-2-yl)cyclopropane-1-carboxylic acid

1-(7-chloro-3-methoxynaphthalen-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 117443353) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 1-(7-chloro-3-methoxynaphthalen-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(7-chloro-3-methoxynaphthalen-2-yl)cyclopropane-1-carboxylic acid
PubChem CID117443353
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name1-(7-chloro-3-methoxynaphthalen-2-yl)cyclopropane-1-carboxylic acid
SMILESCOc1cc2ccc(Cl)cc2cc1C1(C(=O)O)CC1
InChIInChI=1S/C15H13ClO3/c1-19-13-8-9-2-3-11(16)6-10(9)7-12(13)15(4-5-15)14(17)18/h2-3,6-8H,4-5H2,1H3,(H,17,18)
InChIKeyHARGRWZFUSRDNU-UHFFFAOYSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937782
1-(2-chloro-4,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 105424298
1-(5-chloro-2,3-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117394916
2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid
CID 117380053
1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117348579
1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 105425975
1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 83711945
1-(2,5-dichloro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117466952
1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 82296346
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]cyclopropane-1-carboxylic acid
CID 117388480
1-(5-chloro-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117454399
3-tert-butyl-1-(5-chloro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 65017164

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-3-methoxynaphthalen-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(7-chloro-3-methoxynaphthalen-2-yl)cyclopropane-1-carboxylic acid (CID 117443353) is 1-(7-chloro-3-methoxynaphthalen-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(7-chloro-3-methoxynaphthalen-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(7-chloro-3-methoxynaphthalen-2-yl)cyclopropane-1-carboxylic acid is COc1cc2ccc(Cl)cc2cc1C1(C(=O)O)CC1.
What is the InChIKey of 1-(7-chloro-3-methoxynaphthalen-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is HARGRWZFUSRDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-19-13-8-9-2-3-11(16)6-10(9)7-12(13)15(4-5-15)14(17)18/h2-3,6-8H,4-5H2,1H3,(H,17,18).
What are the key properties of 1-(7-chloro-3-methoxynaphthalen-2-yl)cyclopropane-1-carboxylic acid?
1-(7-chloro-3-methoxynaphthalen-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 276.72 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-3-methoxynaphthalen-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117443353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).