(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol

C13H8Cl4O — CID 63427541

IUPAC(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
SMILESOC(c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl4O/c14-8-1-2-11(12(17)6-8)13(18)7-3-9(15)5-10(16)4-7/h1-6,13,18H
InChIKeyKKAKQWYIGGNQJB-UHFFFAOYSA-N
MW322.02 g/mol
LogP5.38
Rot. Bonds2

About (2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol

(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol (PubChem CID 63427541) has the molecular formula C13H8Cl4O and a molecular weight of 322.02 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
PubChem CID63427541
Molecular FormulaC13H8Cl4O
Molecular Weight322.02 g/mol
Exact Mass319.93
IUPAC Name(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
SMILESOC(c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl4O/c14-8-1-2-11(12(17)6-8)13(18)7-3-9(15)5-10(16)4-7/h1-6,13,18H
InChIKeyKKAKQWYIGGNQJB-UHFFFAOYSA-N
XLogP5.38
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 ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dichlorophenyl)-(4-fluorophenyl)methanol
CID 20506318
1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63444209
(S)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol
CID 26595568
(R)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol
CID 26595571
(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61101565
1-(2,4-dichlorophenyl)-2-sulfanylethanol
CID 116830061
(R)-(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanol
CID 27260955
(2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61083249
(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 63426938
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992
(2,4-dichlorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 61099046
(R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methanol
CID 129383198

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol?
The IUPAC name of (2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol (CID 63427541) is (2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol.
What is the SMILES notation for (2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol?
The canonical SMILES for (2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol is OC(c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol?
The InChIKey is KKAKQWYIGGNQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4O/c14-8-1-2-11(12(17)6-8)13(18)7-3-9(15)5-10(16)4-7/h1-6,13,18H.
What are the key properties of (2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol?
(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol has a molecular weight of 322.02 g/mol, XLogP of 5.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol is sourced from PubChem (CID 63427541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).