4-methyl-2-phenylheptanoic acid

C14H20O2 — CID 65430207

IUPAC4-methyl-2-phenylheptanoic acid
SMILESCCCC(C)CC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20O2/c1-3-7-11(2)10-13(14(15)16)12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10H2,1-2H3,(H,15,16)
InChIKeyGYEUWYJOKXIJOE-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.68
Rot. Bonds6

About 4-methyl-2-phenylheptanoic acid

4-methyl-2-phenylheptanoic acid (PubChem CID 65430207) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-methyl-2-phenylheptanoic acid.

Molecular Properties

Compound Name4-methyl-2-phenylheptanoic acid
PubChem CID65430207
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-methyl-2-phenylheptanoic acid
SMILESCCCC(C)CC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20O2/c1-3-7-11(2)10-13(14(15)16)12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10H2,1-2H3,(H,15,16)
InChIKeyGYEUWYJOKXIJOE-UHFFFAOYSA-N
XLogP3.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-4-methylheptanoic acid
CID 79434395
6-methoxy-4-methyl-2-phenylhexanoic acid
CID 116500424
4-methyl-2,5-diphenylpentanoic acid
CID 82160563
4-ethyl-2-phenylhexanoic acid
CID 81009184
4-iodo-2-phenylpentanoic acid
CID 134988411
4-methylheptan-2-ylbenzene
CID 21055597
2-benzyl-4-methylheptanoic acid
CID 62266775
6-methyl-2-phenylnonan-4-ol
CID 65150012
(2R)-4,4-difluoro-2-phenylbutanoic acid
CID 95757342
7-methyl-2-phenyloctanoic acid
CID 83162771
2-(4-bromophenyl)-4-methylhexanoic acid
CID 79440321
4-methyl-1,1-diphenylheptan-2-amine
CID 63412141

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenylheptanoic acid?
The IUPAC name of 4-methyl-2-phenylheptanoic acid (CID 65430207) is 4-methyl-2-phenylheptanoic acid.
What is the SMILES notation for 4-methyl-2-phenylheptanoic acid?
The canonical SMILES for 4-methyl-2-phenylheptanoic acid is CCCC(C)CC(C(=O)O)c1ccccc1.
What is the InChIKey of 4-methyl-2-phenylheptanoic acid?
The InChIKey is GYEUWYJOKXIJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-7-11(2)10-13(14(15)16)12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-2-phenylheptanoic acid?
4-methyl-2-phenylheptanoic acid has a molecular weight of 220.31 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenylheptanoic acid is sourced from PubChem (CID 65430207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).