[3-chloro-2-(3,4,5-trichlorophenyl)phenyl]methanol

C13H8Cl4O — CID 134630647

IUPAC[3-chloro-2-(3,4,5-trichlorophenyl)phenyl]methanol
SMILESOCc1cccc(Cl)c1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl4O/c14-9-3-1-2-7(6-18)12(9)8-4-10(15)13(17)11(16)5-8/h1-5,18H,6H2
InChIKeyFNYDHGRUHFRLIO-UHFFFAOYSA-N
MW322.02 g/mol
LogP5.46
Rot. Bonds2

About [3-chloro-2-(3,4,5-trichlorophenyl)phenyl]methanol

[3-chloro-2-(3,4,5-trichlorophenyl)phenyl]methanol (PubChem CID 134630647) has the molecular formula C13H8Cl4O and a molecular weight of 322.02 g/mol. Its IUPAC name is [3-chloro-2-(3,4,5-trichlorophenyl)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-2-(3,4,5-trichlorophenyl)phenyl]methanol
PubChem CID134630647
Molecular FormulaC13H8Cl4O
Molecular Weight322.02 g/mol
Exact Mass319.93
IUPAC Name[3-chloro-2-(3,4,5-trichlorophenyl)phenyl]methanol
SMILESOCc1cccc(Cl)c1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl4O/c14-9-3-1-2-7(6-18)12(9)8-4-10(15)13(17)11(16)5-8/h1-5,18H,6H2
InChIKeyFNYDHGRUHFRLIO-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_2', 'substructure': 'N/A'}

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Related Compounds

1,3,5-tris(2,6-dichlorophenyl)benzene
CID 134437988
1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene
CID 134622946
[3-(2,6-dichlorophenyl)-5-fluorophenyl]methanol
CID 118824355
[3-chloro-2-(3,5-dichlorophenoxy)phenyl]methanol
CID 114067624
(3-chloro-2-ethylphenyl)methanol
CID 118269686
2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid
CID 134630533
[2-(2,5-dichlorophenyl)-3-fluorophenyl]methanol
CID 118841232
1,2,3-trichloro-5-(4-phenylphenyl)benzene
CID 71394428
[2,3-bis(4-methylphenyl)phenyl]methanol
CID 67427826
(3-chloro-2-methoxyphenyl)methanol
CID 54184130
[5-amino-2-(2,6-dichlorophenyl)-3-pyridinyl]methanol
CID 133087406
2-N,4-N-bis[2,6-dichloro-4-(2,6-dichlorophenyl)phenyl]pentane-2,4-diimine
CID 59227527

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(3,4,5-trichlorophenyl)phenyl]methanol?
The IUPAC name of [3-chloro-2-(3,4,5-trichlorophenyl)phenyl]methanol (CID 134630647) is [3-chloro-2-(3,4,5-trichlorophenyl)phenyl]methanol.
What is the SMILES notation for [3-chloro-2-(3,4,5-trichlorophenyl)phenyl]methanol?
The canonical SMILES for [3-chloro-2-(3,4,5-trichlorophenyl)phenyl]methanol is OCc1cccc(Cl)c1-c1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of [3-chloro-2-(3,4,5-trichlorophenyl)phenyl]methanol?
The InChIKey is FNYDHGRUHFRLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4O/c14-9-3-1-2-7(6-18)12(9)8-4-10(15)13(17)11(16)5-8/h1-5,18H,6H2.
What are the key properties of [3-chloro-2-(3,4,5-trichlorophenyl)phenyl]methanol?
[3-chloro-2-(3,4,5-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-2-(3,4,5-trichlorophenyl)phenyl]methanol is sourced from PubChem (CID 134630647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).