3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1-(2-hydroxyphenyl)propan-1-one

C22H18Cl2O2 — CID 154710089

IUPAC3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1-(2-hydroxyphenyl)propan-1-one
SMILESO=C(c1ccccc1O)C(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl2O2/c23-18-9-5-15(6-10-18)13-17(14-16-7-11-19(24)12-8-16)22(26)20-3-1-2-4-21(20)25/h1-12,17,25H,13-14H2
InChIKeyLSRKHQSLUDKRKM-UHFFFAOYSA-N
MW385.29 g/mol
LogP5.98
Rot. Bonds6

About 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1-(2-hydroxyphenyl)propan-1-one

3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1-(2-hydroxyphenyl)propan-1-one (PubChem CID 154710089) has the molecular formula C22H18Cl2O2 and a molecular weight of 385.29 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1-(2-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1-(2-hydroxyphenyl)propan-1-one
PubChem CID154710089
Molecular FormulaC22H18Cl2O2
Molecular Weight385.29 g/mol
Exact Mass384.07
IUPAC Name3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1-(2-hydroxyphenyl)propan-1-one
SMILESO=C(c1ccccc1O)C(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl2O2/c23-18-9-5-15(6-10-18)13-17(14-16-7-11-19(24)12-8-16)22(26)20-3-1-2-4-21(20)25/h1-12,17,25H,13-14H2
InChIKeyLSRKHQSLUDKRKM-UHFFFAOYSA-N
XLogP5.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.29
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1-(2-hydroxyphenyl)propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1-(2-hydroxyphenyl)propan-1-one (CID 154710089) is 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1-(2-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1-(2-hydroxyphenyl)propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1-(2-hydroxyphenyl)propan-1-one is O=C(c1ccccc1O)C(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1-(2-hydroxyphenyl)propan-1-one?
The InChIKey is LSRKHQSLUDKRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2O2/c23-18-9-5-15(6-10-18)13-17(14-16-7-11-19(24)12-8-16)22(26)20-3-1-2-4-21(20)25/h1-12,17,25H,13-14H2.
What are the key properties of 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1-(2-hydroxyphenyl)propan-1-one?
3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1-(2-hydroxyphenyl)propan-1-one has a molecular weight of 385.29 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1-(2-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 154710089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).