2-(1-methyl-4-phenylcyclohexyl)acetic acid

C15H20O2 — CID 169408960

IUPAC2-(1-methyl-4-phenylcyclohexyl)acetic acid
SMILESCC1(CC(=O)O)CCC(c2ccccc2)CC1
InChIInChI=1S/C15H20O2/c1-15(11-14(16)17)9-7-13(8-10-15)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,17)
InChIKeyCSVHNPIVVHGFOT-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.83
Rot. Bonds3

About 2-(1-methyl-4-phenylcyclohexyl)acetic acid

2-(1-methyl-4-phenylcyclohexyl)acetic acid (PubChem CID 169408960) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(1-methyl-4-phenylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-4-phenylcyclohexyl)acetic acid
PubChem CID169408960
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-(1-methyl-4-phenylcyclohexyl)acetic acid
SMILESCC1(CC(=O)O)CCC(c2ccccc2)CC1
InChIInChI=1S/C15H20O2/c1-15(11-14(16)17)9-7-13(8-10-15)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,17)
InChIKeyCSVHNPIVVHGFOT-UHFFFAOYSA-N
XLogP3.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4-phenylcyclohexyl)acetic acid?
The IUPAC name of 2-(1-methyl-4-phenylcyclohexyl)acetic acid (CID 169408960) is 2-(1-methyl-4-phenylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(1-methyl-4-phenylcyclohexyl)acetic acid?
The canonical SMILES for 2-(1-methyl-4-phenylcyclohexyl)acetic acid is CC1(CC(=O)O)CCC(c2ccccc2)CC1.
What is the InChIKey of 2-(1-methyl-4-phenylcyclohexyl)acetic acid?
The InChIKey is CSVHNPIVVHGFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-15(11-14(16)17)9-7-13(8-10-15)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,17).
What are the key properties of 2-(1-methyl-4-phenylcyclohexyl)acetic acid?
2-(1-methyl-4-phenylcyclohexyl)acetic acid has a molecular weight of 232.32 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4-phenylcyclohexyl)acetic acid is sourced from PubChem (CID 169408960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).