1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid

C16H22O3 — CID 117410551

IUPAC1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid
SMILESCCC(C)(C)c1ccc(OC)c(C2(C(=O)O)CC2)c1
InChIInChI=1S/C16H22O3/c1-5-15(2,3)11-6-7-13(19-4)12(10-11)16(8-9-16)14(17)18/h6-7,10H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyUZVTYGQNKQKXOA-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.50
Rot. Bonds5

About 1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid

1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 117410551) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID117410551
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid
SMILESCCC(C)(C)c1ccc(OC)c(C2(C(=O)O)CC2)c1
InChIInChI=1S/C16H22O3/c1-5-15(2,3)11-6-7-13(19-4)12(10-11)16(8-9-16)14(17)18/h6-7,10H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyUZVTYGQNKQKXOA-UHFFFAOYSA-N
XLogP3.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 82296346
1-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]cyclohexane-1-carboxylic acid
CID 117489779
1-(2-ethoxy-3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117419569
2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid
CID 117410634
2-hydroxy-2-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
CID 117383995
1-(5-chloro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937782
1-(2-chloro-4,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 105424298
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]cyclopropane-1-carboxylic acid
CID 117388480
1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117112292
4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid
CID 82091719
2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid
CID 3935984
1-[5-[(dimethylamino)methyl]-2-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117412822

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid (CID 117410551) is 1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid is CCC(C)(C)c1ccc(OC)c(C2(C(=O)O)CC2)c1.
What is the InChIKey of 1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is UZVTYGQNKQKXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-5-15(2,3)11-6-7-13(19-4)12(10-11)16(8-9-16)14(17)18/h6-7,10H,5,8-9H2,1-4H3,(H,17,18).
What are the key properties of 1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid?
1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117410551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).