5-(4-chlorophenyl)-5-phenylhexanoic acid

C18H19ClO2 — CID 70553770

IUPAC5-(4-chlorophenyl)-5-phenylhexanoic acid
SMILESCC(CCCC(=O)O)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClO2/c1-18(13-5-8-17(20)21,14-6-3-2-4-7-14)15-9-11-16(19)12-10-15/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,20,21)
InChIKeyYIFURUHOGMQQOZ-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.90
Rot. Bonds6

About 5-(4-chlorophenyl)-5-phenylhexanoic acid

5-(4-chlorophenyl)-5-phenylhexanoic acid (PubChem CID 70553770) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-5-phenylhexanoic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-5-phenylhexanoic acid
PubChem CID70553770
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name5-(4-chlorophenyl)-5-phenylhexanoic acid
SMILESCC(CCCC(=O)O)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClO2/c1-18(13-5-8-17(20)21,14-6-3-2-4-7-14)15-9-11-16(19)12-10-15/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,20,21)
InChIKeyYIFURUHOGMQQOZ-UHFFFAOYSA-N
XLogP4.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-2-methylpentanedioic acid
CID 117050161
6-amino-5-methyl-5-phenylhexanoic acid
CID 146308084
4-(4-chlorophenyl)-4-hydroxyhexanoic acid
CID 66323409
6-oxo-5,5-diphenyloctanoic acid
CID 19981505
2,2-diphenyltridecan-7-one
CID 91284823
5-methyl-5,7-diphenylheptanoic acid
CID 148740605
1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene
CID 57254584
phosphane;6,6,6-triphenylhexanoic acid
CID 175595654
octadecanoic acid;2-phenylpropan-2-amine;hydrochloride
CID 175449619
1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one
CID 43160394
3-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]propanoic acid
CID 119233245
4-(2-phenyloctan-2-yl)phenol
CID 174541966

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-5-phenylhexanoic acid?
The IUPAC name of 5-(4-chlorophenyl)-5-phenylhexanoic acid (CID 70553770) is 5-(4-chlorophenyl)-5-phenylhexanoic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-5-phenylhexanoic acid?
The canonical SMILES for 5-(4-chlorophenyl)-5-phenylhexanoic acid is CC(CCCC(=O)O)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-5-phenylhexanoic acid?
The InChIKey is YIFURUHOGMQQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c1-18(13-5-8-17(20)21,14-6-3-2-4-7-14)15-9-11-16(19)12-10-15/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,20,21).
What are the key properties of 5-(4-chlorophenyl)-5-phenylhexanoic acid?
5-(4-chlorophenyl)-5-phenylhexanoic acid has a molecular weight of 302.80 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-5-phenylhexanoic acid is sourced from PubChem (CID 70553770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).