7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid

C14H19ClO3 — CID 150559838

IUPAC7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid
SMILESCC(O)(CCCCCc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C14H19ClO3/c1-14(18,13(16)17)10-4-2-3-5-11-6-8-12(15)9-7-11/h6-9,18H,2-5,10H2,1H3,(H,16,17)
InChIKeyIJPQEVUUSOPIJJ-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.28
Rot. Bonds7

About 7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid

7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid (PubChem CID 150559838) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid
PubChem CID150559838
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid
SMILESCC(O)(CCCCCc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C14H19ClO3/c1-14(18,13(16)17)10-4-2-3-5-11-6-8-12(15)9-7-11/h6-9,18H,2-5,10H2,1H3,(H,16,17)
InChIKeyIJPQEVUUSOPIJJ-UHFFFAOYSA-N
XLogP3.28
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid
CID 130693679
7-[4-(6,6-dimethyl-7-oxooctyl)phenyl]-2,2-dimethylheptanoic acid
CID 164594943
3,3-dichloro-13-(4-chlorophenyl)tridec-1-en-2-ol
CID 89217400
3-[(4-chlorophenyl)methylsulfanyl]-2-hydroxy-2-methylpropanoic acid
CID 114790011
4-(4-chlorophenyl)-2-ethyl-2-methylbutanoic acid
CID 171407879
3-[(4-chlorophenyl)methylamino]-2-hydroxy-2-methylpropanoic acid
CID 104643847
2-chloro-4-(4-chlorophenyl)-2-methylbutanamide
CID 67225206
(2R)-2-[6-(4-chlorophenyl)hexylsulfanylmethyl]-2-hydroxybutanedioic acid
CID 102000563
2-methyl-2-(4-phenylbutyl)propanedioic acid
CID 22618855
2-[4-(4-chlorophenyl)butyl]propanedioic acid
CID 135387064
2,2-dihydroxy-22-phenyldocosanoic acid
CID 54471325
9-(4-chlorophenyl)-2-methylidenenonanoic acid
CID 20544233

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid?
The IUPAC name of 7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid (CID 150559838) is 7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid.
What is the SMILES notation for 7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid?
The canonical SMILES for 7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid is CC(O)(CCCCCc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid?
The InChIKey is IJPQEVUUSOPIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-14(18,13(16)17)10-4-2-3-5-11-6-8-12(15)9-7-11/h6-9,18H,2-5,10H2,1H3,(H,16,17).
What are the key properties of 7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid?
7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid has a molecular weight of 270.76 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid is sourced from PubChem (CID 150559838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).