[3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone

C19H12Cl2O3 — CID 91388813

IUPAC[3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(O)c(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H12Cl2O3/c20-14-4-1-12(2-5-14)19(23)13-3-10-17(22)18(11-13)24-16-8-6-15(21)7-9-16/h1-11,22H
InChIKeyJDBWXODSKUFITA-UHFFFAOYSA-N
MW359.21 g/mol
LogP5.72
Rot. Bonds4

About [3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone

[3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone (PubChem CID 91388813) has the molecular formula C19H12Cl2O3 and a molecular weight of 359.21 g/mol. Its IUPAC name is [3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone
PubChem CID91388813
Molecular FormulaC19H12Cl2O3
Molecular Weight359.21 g/mol
Exact Mass358.02
IUPAC Name[3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(O)c(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H12Cl2O3/c20-14-4-1-12(2-5-14)19(23)13-3-10-17(22)18(11-13)24-16-8-6-15(21)7-9-16/h1-11,22H
InChIKeyJDBWXODSKUFITA-UHFFFAOYSA-N
XLogP5.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.21
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 159184900
[4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone
CID 59847037
[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 58607338
[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone
CID 59755419
bis(4-fluoro-3-phenoxyphenyl)methanone
CID 67872405
5-(4-chlorobenzoyl)-2-hydroxybenzaldehyde
CID 100926056
[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone
CID 59755388
[4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone
CID 101215966
(3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 21459023
(4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone
CID 70878263
[4-(3-chlorophenoxy)phenyl]-(4-hydroxyphenyl)methanone
CID 19806495
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone?
The IUPAC name of [3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone (CID 91388813) is [3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone?
The canonical SMILES for [3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1ccc(O)c(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of [3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone?
The InChIKey is JDBWXODSKUFITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2O3/c20-14-4-1-12(2-5-14)19(23)13-3-10-17(22)18(11-13)24-16-8-6-15(21)7-9-16/h1-11,22H.
What are the key properties of [3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone?
[3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone has a molecular weight of 359.21 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 91388813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).