1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid

C17H22O2 — CID 117399711

IUPAC1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(C3CCCCCC3)c2)CC1
InChIInChI=1S/C17H22O2/c18-16(19)17(10-11-17)15-9-5-8-14(12-15)13-6-3-1-2-4-7-13/h5,8-9,12-13H,1-4,6-7,10-11H2,(H,18,19)
InChIKeyGDGKPXNMTQTGMB-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.24
Rot. Bonds3

About 1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid

1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117399711) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid
PubChem CID117399711
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(C3CCCCCC3)c2)CC1
InChIInChI=1S/C17H22O2/c18-16(19)17(10-11-17)15-9-5-8-14(12-15)13-6-3-1-2-4-7-13/h5,8-9,12-13H,1-4,6-7,10-11H2,(H,18,19)
InChIKeyGDGKPXNMTQTGMB-UHFFFAOYSA-N
XLogP4.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 117362913
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1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid
CID 84794422
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1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid
CID 117462129
1-[3-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117436357
1-(3-cycloheptylphenyl)cyclopentan-1-amine
CID 117397299
1-(2-cyclohexylphenyl)cyclopropane-1-carboxylic acid
CID 117362895
phenyl 3-cyclohexylbenzoate
CID 67161898
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
[3-(1-isocyanatocyclobutyl)phenyl]cycloheptane
CID 117426969
1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid
CID 117399697

Frequently Asked Questions

What is the IUPAC name of 1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid (CID 117399711) is 1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2cccc(C3CCCCCC3)c2)CC1.
What is the InChIKey of 1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is GDGKPXNMTQTGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c18-16(19)17(10-11-17)15-9-5-8-14(12-15)13-6-3-1-2-4-7-13/h5,8-9,12-13H,1-4,6-7,10-11H2,(H,18,19).
What are the key properties of 1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid?
1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 258.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117399711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).