7-methyl-2-phenyloctanoic acid

C15H22O2 — CID 83162771

IUPAC7-methyl-2-phenyloctanoic acid
SMILESCC(C)CCCCC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H22O2/c1-12(2)8-6-7-11-14(15(16)17)13-9-4-3-5-10-13/h3-5,9-10,12,14H,6-8,11H2,1-2H3,(H,16,17)
InChIKeyUHCHUHWGIBLITI-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.07
Rot. Bonds7

About 7-methyl-2-phenyloctanoic acid

7-methyl-2-phenyloctanoic acid (PubChem CID 83162771) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 7-methyl-2-phenyloctanoic acid.

Molecular Properties

Compound Name7-methyl-2-phenyloctanoic acid
PubChem CID83162771
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name7-methyl-2-phenyloctanoic acid
SMILESCC(C)CCCCC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H22O2/c1-12(2)8-6-7-11-14(15(16)17)13-9-4-3-5-10-13/h3-5,9-10,12,14H,6-8,11H2,1-2H3,(H,16,17)
InChIKeyUHCHUHWGIBLITI-UHFFFAOYSA-N
XLogP4.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-iodo-2-phenylheptanoic acid
CID 134916337
6-iodo-2-phenylhexanoic acid
CID 134916404
5-hydroxy-2-phenylpentanoic acid
CID 79006638
2-phenyloctadecanedioic acid
CID 23016344
2-methylpropanoyl 8-methyl-2-phenylnonaneperoxoate
CID 172713023
2-(3-chlorophenyl)-6-methylheptanoic acid
CID 83158941
10-hydroxy-2-phenyloctadecanoic acid
CID 67642354
(2S)-2,5-diphenylpentanoic acid
CID 7054365
2-phenylhept-6-ynoic acid
CID 81008410
3-(4-methylpentanoylamino)-2-phenylpropanoic acid
CID 62883511
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-phenyloctadecanoic acid
CID 68846606
4-[[(1S)-1-carboxyethyl]amino]-2-phenylbutanoic acid
CID 67799293

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-phenyloctanoic acid?
The IUPAC name of 7-methyl-2-phenyloctanoic acid (CID 83162771) is 7-methyl-2-phenyloctanoic acid.
What is the SMILES notation for 7-methyl-2-phenyloctanoic acid?
The canonical SMILES for 7-methyl-2-phenyloctanoic acid is CC(C)CCCCC(C(=O)O)c1ccccc1.
What is the InChIKey of 7-methyl-2-phenyloctanoic acid?
The InChIKey is UHCHUHWGIBLITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-12(2)8-6-7-11-14(15(16)17)13-9-4-3-5-10-13/h3-5,9-10,12,14H,6-8,11H2,1-2H3,(H,16,17).
What are the key properties of 7-methyl-2-phenyloctanoic acid?
7-methyl-2-phenyloctanoic acid has a molecular weight of 234.34 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-phenyloctanoic acid is sourced from PubChem (CID 83162771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).