6-[4-(4-chlorophenyl)phenyl]-6-hydroxyheptanoic acid

C19H21ClO3 — CID 23503042

IUPAC6-[4-(4-chlorophenyl)phenyl]-6-hydroxyheptanoic acid
SMILESCC(O)(CCCCC(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClO3/c1-19(23,13-3-2-4-18(21)22)16-9-5-14(6-10-16)15-7-11-17(20)12-8-15/h5-12,23H,2-4,13H2,1H3,(H,21,22)
InChIKeyDNLIGIFEXGUYGO-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.86
Rot. Bonds7

About 6-[4-(4-chlorophenyl)phenyl]-6-hydroxyheptanoic acid

6-[4-(4-chlorophenyl)phenyl]-6-hydroxyheptanoic acid (PubChem CID 23503042) has the molecular formula C19H21ClO3 and a molecular weight of 332.83 g/mol. Its IUPAC name is 6-[4-(4-chlorophenyl)phenyl]-6-hydroxyheptanoic acid.

Molecular Properties

Compound Name6-[4-(4-chlorophenyl)phenyl]-6-hydroxyheptanoic acid
PubChem CID23503042
Molecular FormulaC19H21ClO3
Molecular Weight332.83 g/mol
Exact Mass332.12
IUPAC Name6-[4-(4-chlorophenyl)phenyl]-6-hydroxyheptanoic acid
SMILESCC(O)(CCCCC(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClO3/c1-19(23,13-3-2-4-18(21)22)16-9-5-14(6-10-16)15-7-11-17(20)12-8-15/h5-12,23H,2-4,13H2,1H3,(H,21,22)
InChIKeyDNLIGIFEXGUYGO-UHFFFAOYSA-N
XLogP4.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.86
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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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorophenyl)phenyl]-6-hydroxyheptanoic acid?
The IUPAC name of 6-[4-(4-chlorophenyl)phenyl]-6-hydroxyheptanoic acid (CID 23503042) is 6-[4-(4-chlorophenyl)phenyl]-6-hydroxyheptanoic acid.
What is the SMILES notation for 6-[4-(4-chlorophenyl)phenyl]-6-hydroxyheptanoic acid?
The canonical SMILES for 6-[4-(4-chlorophenyl)phenyl]-6-hydroxyheptanoic acid is CC(O)(CCCCC(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 6-[4-(4-chlorophenyl)phenyl]-6-hydroxyheptanoic acid?
The InChIKey is DNLIGIFEXGUYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO3/c1-19(23,13-3-2-4-18(21)22)16-9-5-14(6-10-16)15-7-11-17(20)12-8-15/h5-12,23H,2-4,13H2,1H3,(H,21,22).
What are the key properties of 6-[4-(4-chlorophenyl)phenyl]-6-hydroxyheptanoic acid?
6-[4-(4-chlorophenyl)phenyl]-6-hydroxyheptanoic acid has a molecular weight of 332.83 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-chlorophenyl)phenyl]-6-hydroxyheptanoic acid is sourced from PubChem (CID 23503042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).