2-[1-[3-(4-methylcyclohexyl)phenyl]cyclopropyl]acetic acid

C18H24O2 — CID 117434022

IUPAC2-[1-[3-(4-methylcyclohexyl)phenyl]cyclopropyl]acetic acid
SMILESCC1CCC(c2cccc(C3(CC(=O)O)CC3)c2)CC1
InChIInChI=1S/C18H24O2/c1-13-5-7-14(8-6-13)15-3-2-4-16(11-15)18(9-10-18)12-17(19)20/h2-4,11,13-14H,5-10,12H2,1H3,(H,19,20)
InChIKeyZZYFKCKVFWJJEC-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.49
Rot. Bonds4

About 2-[1-[3-(4-methylcyclohexyl)phenyl]cyclopropyl]acetic acid

2-[1-[3-(4-methylcyclohexyl)phenyl]cyclopropyl]acetic acid (PubChem CID 117434022) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[1-[3-(4-methylcyclohexyl)phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(4-methylcyclohexyl)phenyl]cyclopropyl]acetic acid
PubChem CID117434022
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name2-[1-[3-(4-methylcyclohexyl)phenyl]cyclopropyl]acetic acid
SMILESCC1CCC(c2cccc(C3(CC(=O)O)CC3)c2)CC1
InChIInChI=1S/C18H24O2/c1-13-5-7-14(8-6-13)15-3-2-4-16(11-15)18(9-10-18)12-17(19)20/h2-4,11,13-14H,5-10,12H2,1H3,(H,19,20)
InChIKeyZZYFKCKVFWJJEC-UHFFFAOYSA-N
XLogP4.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107682
ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid
CID 170751280
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
1-[3-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine
CID 117397302
2-[1-[3-(methylsulfonylmethyl)phenyl]cyclopropyl]acetic acid
CID 117424606
2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetic acid
CID 117374049
2-[1-[4-(thian-4-yl)phenyl]cyclopropyl]acetic acid
CID 117443081
2-[1-(3-bromophenyl)cyclopentyl]acetic acid
CID 68971554
2-(1-methyl-4-phenylcyclohexyl)acetic acid
CID 169408960
1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid
CID 117362913
1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid
CID 117399711
[1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone
CID 114607743

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-methylcyclohexyl)phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[3-(4-methylcyclohexyl)phenyl]cyclopropyl]acetic acid (CID 117434022) is 2-[1-[3-(4-methylcyclohexyl)phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[3-(4-methylcyclohexyl)phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[3-(4-methylcyclohexyl)phenyl]cyclopropyl]acetic acid is CC1CCC(c2cccc(C3(CC(=O)O)CC3)c2)CC1.
What is the InChIKey of 2-[1-[3-(4-methylcyclohexyl)phenyl]cyclopropyl]acetic acid?
The InChIKey is ZZYFKCKVFWJJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-13-5-7-14(8-6-13)15-3-2-4-16(11-15)18(9-10-18)12-17(19)20/h2-4,11,13-14H,5-10,12H2,1H3,(H,19,20).
What are the key properties of 2-[1-[3-(4-methylcyclohexyl)phenyl]cyclopropyl]acetic acid?
2-[1-[3-(4-methylcyclohexyl)phenyl]cyclopropyl]acetic acid has a molecular weight of 272.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-methylcyclohexyl)phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117434022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).