2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid

C15H17ClO3 — CID 117450821

IUPAC2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc(OC3CCC3)c(Cl)c2)CC1
InChIInChI=1S/C15H17ClO3/c16-12-8-10(15(6-7-15)9-14(17)18)4-5-13(12)19-11-2-1-3-11/h4-5,8,11H,1-3,6-7,9H2,(H,17,18)
InChIKeyLXLHFFSPYURRNI-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.78
Rot. Bonds5

About 2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid

2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid (PubChem CID 117450821) has the molecular formula C15H17ClO3 and a molecular weight of 280.75 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid
PubChem CID117450821
Molecular FormulaC15H17ClO3
Molecular Weight280.75 g/mol
Exact Mass280.09
IUPAC Name2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc(OC3CCC3)c(Cl)c2)CC1
InChIInChI=1S/C15H17ClO3/c16-12-8-10(15(6-7-15)9-14(17)18)4-5-13(12)19-11-2-1-3-11/h4-5,8,11H,1-3,6-7,9H2,(H,17,18)
InChIKeyLXLHFFSPYURRNI-UHFFFAOYSA-N
XLogP3.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]acetic acid
CID 117495625
2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid
CID 117469213
1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid
CID 117493650
2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid
CID 82391155
[1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
CID 117452536
2-[1-[3-chloro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117389821
3-amino-3-(3-chloro-4-cyclobutyloxyphenyl)propanoic acid
CID 117427330
2-chloro-1-cyclobutyloxy-4-(1-isocyanatocyclopentyl)benzene
CID 117471227
2-[1-[3-(oxan-3-yloxy)phenyl]cyclopropyl]acetic acid
CID 117442548
3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid
CID 117425393
3-(3-chloro-4-cyclobutyloxyphenyl)-2,2-dimethylpropanoic acid
CID 117454433
[1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine
CID 117420817

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid (CID 117450821) is 2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid is O=C(O)CC1(c2ccc(OC3CCC3)c(Cl)c2)CC1.
What is the InChIKey of 2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid?
The InChIKey is LXLHFFSPYURRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO3/c16-12-8-10(15(6-7-15)9-14(17)18)4-5-13(12)19-11-2-1-3-11/h4-5,8,11H,1-3,6-7,9H2,(H,17,18).
What are the key properties of 2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid?
2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid has a molecular weight of 280.75 g/mol, XLogP of 3.78, 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-cyclobutyloxyphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117450821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).