1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid

C15H18O4 — CID 117410189

IUPAC1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
SMILESCOc1cccc(C2(C(=O)O)CCC2)c1OC1CC1
InChIInChI=1S/C15H18O4/c1-18-12-5-2-4-11(13(12)19-10-6-7-10)15(14(16)17)8-3-9-15/h2,4-5,10H,3,6-9H2,1H3,(H,16,17)
InChIKeyDZLBJSVWLXNLET-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.74
Rot. Bonds5

About 1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid

1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117410189) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
PubChem CID117410189
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
SMILESCOc1cccc(C2(C(=O)O)CCC2)c1OC1CC1
InChIInChI=1S/C15H18O4/c1-18-12-5-2-4-11(13(12)19-10-6-7-10)15(14(16)17)8-3-9-15/h2,4-5,10H,3,6-9H2,1H3,(H,16,17)
InChIKeyDZLBJSVWLXNLET-UHFFFAOYSA-N
XLogP2.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117469164
1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117472035
1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493403
1-(2-cyclopropyloxyphenyl)cyclobutane-1-carboxylic acid
CID 117336203
1-[2-methoxy-3-(thian-4-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117493421
1-(1-hydroxy-5-methoxynaphthalen-2-yl)cyclobutane-1-carboxylic acid
CID 117433459
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
1-(3-fluoro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117490420
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117383748
1-(2-hydroxy-3,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383426

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid (CID 117410189) is 1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid is COc1cccc(C2(C(=O)O)CCC2)c1OC1CC1.
What is the InChIKey of 1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is DZLBJSVWLXNLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-18-12-5-2-4-11(13(12)19-10-6-7-10)15(14(16)17)8-3-9-15/h2,4-5,10H,3,6-9H2,1H3,(H,16,17).
What are the key properties of 1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid?
1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117410189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).