5-methyl-5,7-diphenylheptanoic acid

C20H24O2 — CID 148740605

IUPAC5-methyl-5,7-diphenylheptanoic acid
SMILESCC(CCCC(=O)O)(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O2/c1-20(15-8-13-19(21)22,18-11-6-3-7-12-18)16-14-17-9-4-2-5-10-17/h2-7,9-12H,8,13-16H2,1H3,(H,21,22)
InChIKeyOCTHQIWCSSJWIU-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.83
Rot. Bonds8

About 5-methyl-5,7-diphenylheptanoic acid

5-methyl-5,7-diphenylheptanoic acid (PubChem CID 148740605) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 5-methyl-5,7-diphenylheptanoic acid.

Molecular Properties

Compound Name5-methyl-5,7-diphenylheptanoic acid
PubChem CID148740605
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name5-methyl-5,7-diphenylheptanoic acid
SMILESCC(CCCC(=O)O)(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O2/c1-20(15-8-13-19(21)22,18-11-6-3-7-12-18)16-14-17-9-4-2-5-10-17/h2-7,9-12H,8,13-16H2,1H3,(H,21,22)
InChIKeyOCTHQIWCSSJWIU-UHFFFAOYSA-N
XLogP4.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-amino-5-methyl-5-phenylhexanoic acid
CID 146308084
4-[4-(3-hydroxy-3-methylbutyl)phenyl]butanoic acid
CID 117108398
15-phenylpentadecanoic acid
CID 2737151
(3R)-9-hydroxy-3-methyl-3,14-diphenyltetradecanoic acid
CID 130256585
N,N-diethyl-3-methyl-3,5-diphenylpentan-1-amine
CID 57175425
1,15-dihydroxy-3,13-dimethyl-3,13-diphenylpentadecan-8-one
CID 23431379
5-(4-hydroxyphenyl)-2,2,5-trimethylnonanedioic acid
CID 70464957
6-oxo-5,5-diphenyloctanoic acid
CID 19981505
5-(4-chlorophenyl)-5-phenylhexanoic acid
CID 70553770
bis(2-methyl-4-phenylbutan-2-yl) oxalate
CID 163946478
7-[(7-hydroxy-4-methyl-4-phenylheptyl)carbamothioylamino]-4-methyl-4-phenylheptanoic acid
CID 11431986
lanthanum;3-phenylpropanoic acid
CID 174887955

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5,7-diphenylheptanoic acid?
The IUPAC name of 5-methyl-5,7-diphenylheptanoic acid (CID 148740605) is 5-methyl-5,7-diphenylheptanoic acid.
What is the SMILES notation for 5-methyl-5,7-diphenylheptanoic acid?
The canonical SMILES for 5-methyl-5,7-diphenylheptanoic acid is CC(CCCC(=O)O)(CCc1ccccc1)c1ccccc1.
What is the InChIKey of 5-methyl-5,7-diphenylheptanoic acid?
The InChIKey is OCTHQIWCSSJWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-20(15-8-13-19(21)22,18-11-6-3-7-12-18)16-14-17-9-4-2-5-10-17/h2-7,9-12H,8,13-16H2,1H3,(H,21,22).
What are the key properties of 5-methyl-5,7-diphenylheptanoic acid?
5-methyl-5,7-diphenylheptanoic acid has a molecular weight of 296.41 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5,7-diphenylheptanoic acid is sourced from PubChem (CID 148740605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).