6-methoxy-4-methyl-2-phenylhexanoic acid

C14H20O3 — CID 116500424

IUPAC6-methoxy-4-methyl-2-phenylhexanoic acid
SMILESCOCCC(C)CC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20O3/c1-11(8-9-17-2)10-13(14(15)16)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,15,16)
InChIKeyGHWQLYHSFMTWMC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.92
Rot. Bonds7

About 6-methoxy-4-methyl-2-phenylhexanoic acid

6-methoxy-4-methyl-2-phenylhexanoic acid (PubChem CID 116500424) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 6-methoxy-4-methyl-2-phenylhexanoic acid.

Molecular Properties

Compound Name6-methoxy-4-methyl-2-phenylhexanoic acid
PubChem CID116500424
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name6-methoxy-4-methyl-2-phenylhexanoic acid
SMILESCOCCC(C)CC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20O3/c1-11(8-9-17-2)10-13(14(15)16)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,15,16)
InChIKeyGHWQLYHSFMTWMC-UHFFFAOYSA-N
XLogP2.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-4-methyl-2-phenylhexanoic 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

4-methyl-2-phenylheptanoic acid
CID 65430207
4-methyl-2,5-diphenylpentanoic acid
CID 82160563
3-(2-methoxyethoxy)-2-phenylpropanoic acid
CID 63073447
4-iodo-2-phenylpentanoic acid
CID 134988411
4-methoxy-2-(2-phenylbutanoylamino)butanoic acid
CID 62478750
3-(2-methoxyethylsulfonyl)-2-phenylpropanoic acid
CID 64558648
3-(3-methoxypropylamino)-2-phenylpropanoic acid
CID 64565855
4-ethyl-2-phenylhexanoic acid
CID 81009184
1,5-dimethoxy-3-methyl-1-phenylpentan-2-one
CID 116751519
2-(4-chlorophenyl)-4-methylheptanoic acid
CID 79434395
(2R)-4,4-difluoro-2-phenylbutanoic acid
CID 95757342
7-methyl-2-phenyloctanoic acid
CID 83162771

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-2-phenylhexanoic acid?
The IUPAC name of 6-methoxy-4-methyl-2-phenylhexanoic acid (CID 116500424) is 6-methoxy-4-methyl-2-phenylhexanoic acid.
What is the SMILES notation for 6-methoxy-4-methyl-2-phenylhexanoic acid?
The canonical SMILES for 6-methoxy-4-methyl-2-phenylhexanoic acid is COCCC(C)CC(C(=O)O)c1ccccc1.
What is the InChIKey of 6-methoxy-4-methyl-2-phenylhexanoic acid?
The InChIKey is GHWQLYHSFMTWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-11(8-9-17-2)10-13(14(15)16)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,15,16).
What are the key properties of 6-methoxy-4-methyl-2-phenylhexanoic acid?
6-methoxy-4-methyl-2-phenylhexanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-2-phenylhexanoic acid is sourced from PubChem (CID 116500424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).