1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid

C16H20O3 — CID 117405012

IUPAC1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2OC2CCC2)CCCC1
InChIInChI=1S/C16H20O3/c17-15(18)16(10-3-4-11-16)13-8-1-2-9-14(13)19-12-6-5-7-12/h1-2,8-9,12H,3-7,10-11H2,(H,17,18)
InChIKeyBYHJEDHLVBVVPY-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.51
Rot. Bonds4

About 1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid

1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117405012) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid
PubChem CID117405012
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2OC2CCC2)CCCC1
InChIInChI=1S/C16H20O3/c17-15(18)16(10-3-4-11-16)13-8-1-2-9-14(13)19-12-6-5-7-12/h1-2,8-9,12H,3-7,10-11H2,(H,17,18)
InChIKeyBYHJEDHLVBVVPY-UHFFFAOYSA-N
XLogP3.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopropyloxyphenyl)cyclobutane-1-carboxylic acid
CID 117336203
1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid
CID 117472089
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117469164
1-(2-cyclopentyloxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117438576
1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid
CID 117493650
1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117410189
1-(2-cyclobutylphenyl)cyclopentane-1-carboxylic acid
CID 117362898
1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 19976886
1-[2-methoxy-3-(thian-4-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117493421
1-(2-aminophenyl)cyclohexane-1-carboxylic acid
CID 106702481
1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid
CID 117495952

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid (CID 117405012) is 1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid is O=C(O)C1(c2ccccc2OC2CCC2)CCCC1.
What is the InChIKey of 1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is BYHJEDHLVBVVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c17-15(18)16(10-3-4-11-16)13-8-1-2-9-14(13)19-12-6-5-7-12/h1-2,8-9,12H,3-7,10-11H2,(H,17,18).
What are the key properties of 1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid?
1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 260.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117405012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).