[3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol

C13H8Cl4O — CID 134628956

IUPAC[3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol
SMILESOCc1cc(Cl)cc(-c2c(Cl)ccc(Cl)c2Cl)c1
InChIInChI=1S/C13H8Cl4O/c14-9-4-7(6-18)3-8(5-9)12-10(15)1-2-11(16)13(12)17/h1-5,18H,6H2
InChIKeyFQIDQVCUVOCZCH-UHFFFAOYSA-N
MW322.02 g/mol
LogP5.46
Rot. Bonds2

About [3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol

[3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol (PubChem CID 134628956) has the molecular formula C13H8Cl4O and a molecular weight of 322.02 g/mol. Its IUPAC name is [3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol
PubChem CID134628956
Molecular FormulaC13H8Cl4O
Molecular Weight322.02 g/mol
Exact Mass319.93
IUPAC Name[3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol
SMILESOCc1cc(Cl)cc(-c2c(Cl)ccc(Cl)c2Cl)c1
InChIInChI=1S/C13H8Cl4O/c14-9-4-7(6-18)3-8(5-9)12-10(15)1-2-11(16)13(12)17/h1-5,18H,6H2
InChIKeyFQIDQVCUVOCZCH-UHFFFAOYSA-N
XLogP5.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.02
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[3-chloro-5-(hydroxymethyl)phenyl]methanol
CID 23562355
1,2,4-trichloro-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene
CID 134622327
[3-(2,6-dichlorophenyl)-5-fluorophenyl]methanol
CID 118824355
(3,4,5-trichlorophenyl)methanol
CID 23424143
[5,6-bis(2,3,6-trichlorophenyl)-3-pyridinyl]methanol
CID 134637224
5-(hydroxymethyl)-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
CID 133092649
1-(bromomethyl)-3-chloro-5-(2,6-dichlorophenyl)benzene
CID 134625649
[3,5-dichloro-4-(4-fluorophenyl)phenyl]methanol
CID 66764611
1,2,4-trichloro-3-(4-fluoro-3-iodophenyl)benzene
CID 118804732
1,2,4-trichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene
CID 134622495
5-(2,3,6-trichlorophenyl)pyridin-3-ol
CID 130088550
[3-chloro-2-(3,4,5-trichlorophenyl)phenyl]methanol
CID 134630647

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol?
The IUPAC name of [3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol (CID 134628956) is [3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol.
What is the SMILES notation for [3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol?
The canonical SMILES for [3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol is OCc1cc(Cl)cc(-c2c(Cl)ccc(Cl)c2Cl)c1.
What is the InChIKey of [3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol?
The InChIKey is FQIDQVCUVOCZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4O/c14-9-4-7(6-18)3-8(5-9)12-10(15)1-2-11(16)13(12)17/h1-5,18H,6H2.
What are the key properties of [3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol?
[3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol has a molecular weight of 322.02 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol is sourced from PubChem (CID 134628956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).