(4-chlorophenyl)-[2,6-dichloro-4-(hydroxymethyl)phenyl]methanone

C14H9Cl3O2 — CID 2817766

IUPAC(4-chlorophenyl)-[2,6-dichloro-4-(hydroxymethyl)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1c(Cl)cc(CO)cc1Cl
InChIInChI=1S/C14H9Cl3O2/c15-10-3-1-9(2-4-10)14(19)13-11(16)5-8(7-18)6-12(13)17/h1-6,18H,7H2
InChIKeyMHYSTUJBOQTTDW-UHFFFAOYSA-N
MW315.58 g/mol
LogP4.37
Rot. Bonds3

About (4-chlorophenyl)-[2,6-dichloro-4-(hydroxymethyl)phenyl]methanone

(4-chlorophenyl)-[2,6-dichloro-4-(hydroxymethyl)phenyl]methanone (PubChem CID 2817766) has the molecular formula C14H9Cl3O2 and a molecular weight of 315.58 g/mol. Its IUPAC name is (4-chlorophenyl)-[2,6-dichloro-4-(hydroxymethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2,6-dichloro-4-(hydroxymethyl)phenyl]methanone
PubChem CID2817766
Molecular FormulaC14H9Cl3O2
Molecular Weight315.58 g/mol
Exact Mass313.97
IUPAC Name(4-chlorophenyl)-[2,6-dichloro-4-(hydroxymethyl)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1c(Cl)cc(CO)cc1Cl
InChIInChI=1S/C14H9Cl3O2/c15-10-3-1-9(2-4-10)14(19)13-11(16)5-8(7-18)6-12(13)17/h1-6,18H,7H2
InChIKeyMHYSTUJBOQTTDW-UHFFFAOYSA-N
XLogP4.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.58
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2,6-dichloro-4-(hydroxymethyl)phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[2,6-dichloro-4-(hydroxymethyl)phenyl]methanone (CID 2817766) is (4-chlorophenyl)-[2,6-dichloro-4-(hydroxymethyl)phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2,6-dichloro-4-(hydroxymethyl)phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2,6-dichloro-4-(hydroxymethyl)phenyl]methanone is O=C(c1ccc(Cl)cc1)c1c(Cl)cc(CO)cc1Cl.
What is the InChIKey of (4-chlorophenyl)-[2,6-dichloro-4-(hydroxymethyl)phenyl]methanone?
The InChIKey is MHYSTUJBOQTTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3O2/c15-10-3-1-9(2-4-10)14(19)13-11(16)5-8(7-18)6-12(13)17/h1-6,18H,7H2.
What are the key properties of (4-chlorophenyl)-[2,6-dichloro-4-(hydroxymethyl)phenyl]methanone?
(4-chlorophenyl)-[2,6-dichloro-4-(hydroxymethyl)phenyl]methanone has a molecular weight of 315.58 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2,6-dichloro-4-(hydroxymethyl)phenyl]methanone is sourced from PubChem (CID 2817766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).