2-ethyl-7-(4-methylphenyl)heptanoic acid

C16H24O2 — CID 67371360

IUPAC2-ethyl-7-(4-methylphenyl)heptanoic acid
SMILESCCC(CCCCCc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C16H24O2/c1-3-15(16(17)18)8-6-4-5-7-14-11-9-13(2)10-12-14/h9-12,15H,3-8H2,1-2H3,(H,17,18)
InChIKeyCJFPZPJXIBKRSY-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.21
Rot. Bonds8

About 2-ethyl-7-(4-methylphenyl)heptanoic acid

2-ethyl-7-(4-methylphenyl)heptanoic acid (PubChem CID 67371360) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-ethyl-7-(4-methylphenyl)heptanoic acid.

Molecular Properties

Compound Name2-ethyl-7-(4-methylphenyl)heptanoic acid
PubChem CID67371360
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-ethyl-7-(4-methylphenyl)heptanoic acid
SMILESCCC(CCCCCc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C16H24O2/c1-3-15(16(17)18)8-6-4-5-7-14-11-9-13(2)10-12-14/h9-12,15H,3-8H2,1-2H3,(H,17,18)
InChIKeyCJFPZPJXIBKRSY-UHFFFAOYSA-N
XLogP4.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.21
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

(2R)-2-amino-7-(4-methylphenyl)heptanoic acid
CID 155670069
2-ethylhexanoic acid;toluene
CID 67379128
2-[5-(4-methoxyphenyl)pentyl]octanoic acid
CID 139937458
(2S,3R)-2-hydroxy-3-[3-(4-methylphenyl)propyl]butanedioic acid
CID 58223580
10-(4-methylphenyl)decanoic acid
CID 54262490
1,5-bis(4-methylphenyl)pentane-1-sulfonic acid
CID 141399280
2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
(2R)-2-ethyldodecanoic acid
CID 98093060
2-ethyl-4-phenylbutanoic acid;hydrochloride
CID 174946521
5-hydroxy-2-[(4-methylphenyl)methyl]pentanoic acid
CID 79419105
3-ethyl-1-(4-methylphenyl)pentan-2-one
CID 61077540
(2R)-2-benzyl-6-phenylhexanoic acid
CID 131720158

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-(4-methylphenyl)heptanoic acid?
The IUPAC name of 2-ethyl-7-(4-methylphenyl)heptanoic acid (CID 67371360) is 2-ethyl-7-(4-methylphenyl)heptanoic acid.
What is the SMILES notation for 2-ethyl-7-(4-methylphenyl)heptanoic acid?
The canonical SMILES for 2-ethyl-7-(4-methylphenyl)heptanoic acid is CCC(CCCCCc1ccc(C)cc1)C(=O)O.
What is the InChIKey of 2-ethyl-7-(4-methylphenyl)heptanoic acid?
The InChIKey is CJFPZPJXIBKRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-15(16(17)18)8-6-4-5-7-14-11-9-13(2)10-12-14/h9-12,15H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-7-(4-methylphenyl)heptanoic acid?
2-ethyl-7-(4-methylphenyl)heptanoic acid has a molecular weight of 248.37 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-(4-methylphenyl)heptanoic acid is sourced from PubChem (CID 67371360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).