7-phenyl-2-propan-2-ylheptanoic acid

C16H24O2 — CID 15660880

IUPAC7-phenyl-2-propan-2-ylheptanoic acid
SMILESCC(C)C(CCCCCc1ccccc1)C(=O)O
InChIInChI=1S/C16H24O2/c1-13(2)15(16(17)18)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3,(H,17,18)
InChIKeyCIKBBLUAHOGUTK-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.15
Rot. Bonds8

About 7-phenyl-2-propan-2-ylheptanoic acid

7-phenyl-2-propan-2-ylheptanoic acid (PubChem CID 15660880) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 7-phenyl-2-propan-2-ylheptanoic acid.

Molecular Properties

Compound Name7-phenyl-2-propan-2-ylheptanoic acid
PubChem CID15660880
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name7-phenyl-2-propan-2-ylheptanoic acid
SMILESCC(C)C(CCCCCc1ccccc1)C(=O)O
InChIInChI=1S/C16H24O2/c1-13(2)15(16(17)18)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3,(H,17,18)
InChIKeyCIKBBLUAHOGUTK-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
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

7-(4-methoxyphenyl)-2-propan-2-ylheptanoic acid
CID 139937457
2-(8-phenyloctyl)propanedioic acid
CID 20544236
(2S,3R)-3-hydroxy-2-methyl-7-phenylheptanoic acid
CID 57188911
2-amino-7-phenylheptanoic acid
CID 85132413
2-methyl-7-phenylheptan-3-ol
CID 10976646
2-hydroxy-2-[(2S)-1-[(2S)-7-phenyl-2-propan-2-ylheptanoyl]pyrrolidin-2-yl]acetic acid
CID 70045519
2-benzoyl-11-phenylundecanoic acid
CID 54512178
6-phenylhexan-2-yl hydrogen carbonate
CID 67179658
(3R)-6-phenyl-3-propan-2-ylhex-1-en-2-amine
CID 146244577
(2S)-2-ethoxycarbonyl-10-phenyldecanoic acid
CID 129394808
(2S)-2-acetamido-7-phenylheptanoic acid
CID 129362724
(2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenyl-2-propan-2-ylhexanoic acid
CID 20658003

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2-propan-2-ylheptanoic acid?
The IUPAC name of 7-phenyl-2-propan-2-ylheptanoic acid (CID 15660880) is 7-phenyl-2-propan-2-ylheptanoic acid.
What is the SMILES notation for 7-phenyl-2-propan-2-ylheptanoic acid?
The canonical SMILES for 7-phenyl-2-propan-2-ylheptanoic acid is CC(C)C(CCCCCc1ccccc1)C(=O)O.
What is the InChIKey of 7-phenyl-2-propan-2-ylheptanoic acid?
The InChIKey is CIKBBLUAHOGUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-13(2)15(16(17)18)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3,(H,17,18).
What are the key properties of 7-phenyl-2-propan-2-ylheptanoic acid?
7-phenyl-2-propan-2-ylheptanoic acid has a molecular weight of 248.37 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2-propan-2-ylheptanoic acid is sourced from PubChem (CID 15660880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).