2-[4-(3-methyl-4-methylidenecyclohexyl)phenyl]acetic acid

C16H20O2 — CID 91445932

IUPAC2-[4-(3-methyl-4-methylidenecyclohexyl)phenyl]acetic acid
SMILESC=C1CCC(c2ccc(CC(=O)O)cc2)CC1C
InChIInChI=1S/C16H20O2/c1-11-3-6-15(9-12(11)2)14-7-4-13(5-8-14)10-16(17)18/h4-5,7-8,12,15H,1,3,6,9-10H2,2H3,(H,17,18)
InChIKeyZYEMMZABPVBNPE-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.77
Rot. Bonds3

About 2-[4-(3-methyl-4-methylidenecyclohexyl)phenyl]acetic acid

2-[4-(3-methyl-4-methylidenecyclohexyl)phenyl]acetic acid (PubChem CID 91445932) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[4-(3-methyl-4-methylidenecyclohexyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-methyl-4-methylidenecyclohexyl)phenyl]acetic acid
PubChem CID91445932
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name2-[4-(3-methyl-4-methylidenecyclohexyl)phenyl]acetic acid
SMILESC=C1CCC(c2ccc(CC(=O)O)cc2)CC1C
InChIInChI=1S/C16H20O2/c1-11-3-6-15(9-12(11)2)14-7-4-13(5-8-14)10-16(17)18/h4-5,7-8,12,15H,1,3,6,9-10H2,2H3,(H,17,18)
InChIKeyZYEMMZABPVBNPE-UHFFFAOYSA-N
XLogP3.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-(3-methyl-4-methylidenecyclohexyl)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cycloheptylphenyl)acetic acid
CID 21484425
2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid
CID 19026680
2-[4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 105346215
2-[4-(1-prop-2-enoxycarbonylpiperidin-4-yl)phenyl]acetic acid
CID 166000959
2-[4-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]acetic acid
CID 18713877
2-(4-cyclopropylphenyl)-N-[(3R,5S)-5-methylpyrrolidin-3-yl]acetamide
CID 153395167
methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181
2-[4-[2-(4-cyclohexylphenyl)-3-[4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]phenyl]cyclopropyl]phenyl]-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 162164482
2-[4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]acetic acid
CID 59617292
2-[4-(6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl)phenyl]acetic acid
CID 170886793
2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid
CID 103245859
formaldehyde;2-phenylacetic acid
CID 70638018

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-4-methylidenecyclohexyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(3-methyl-4-methylidenecyclohexyl)phenyl]acetic acid (CID 91445932) is 2-[4-(3-methyl-4-methylidenecyclohexyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(3-methyl-4-methylidenecyclohexyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(3-methyl-4-methylidenecyclohexyl)phenyl]acetic acid is C=C1CCC(c2ccc(CC(=O)O)cc2)CC1C.
What is the InChIKey of 2-[4-(3-methyl-4-methylidenecyclohexyl)phenyl]acetic acid?
The InChIKey is ZYEMMZABPVBNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-11-3-6-15(9-12(11)2)14-7-4-13(5-8-14)10-16(17)18/h4-5,7-8,12,15H,1,3,6,9-10H2,2H3,(H,17,18).
What are the key properties of 2-[4-(3-methyl-4-methylidenecyclohexyl)phenyl]acetic acid?
2-[4-(3-methyl-4-methylidenecyclohexyl)phenyl]acetic acid has a molecular weight of 244.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-4-methylidenecyclohexyl)phenyl]acetic acid is sourced from PubChem (CID 91445932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).