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

C15H13Cl3O3 — CID 63895329

IUPAC(2-chloro-3,4-dimethoxyphenyl)-(2,5-dichlorophenyl)methanol
SMILESCOc1ccc(C(O)c2cc(Cl)ccc2Cl)c(Cl)c1OC
InChIInChI=1S/C15H13Cl3O3/c1-20-12-6-4-9(13(18)15(12)21-2)14(19)10-7-8(16)3-5-11(10)17/h3-7,14,19H,1-2H3
InChIKeyOBZMZEWKDALFGE-UHFFFAOYSA-N
MW347.63 g/mol
LogP4.75
Rot. Bonds4

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

(2-chloro-3,4-dimethoxyphenyl)-(2,5-dichlorophenyl)methanol (PubChem CID 63895329) has the molecular formula C15H13Cl3O3 and a molecular weight of 347.63 g/mol. Its IUPAC name is (2-chloro-3,4-dimethoxyphenyl)-(2,5-dichlorophenyl)methanol.

Molecular Properties

Compound Name(2-chloro-3,4-dimethoxyphenyl)-(2,5-dichlorophenyl)methanol
PubChem CID63895329
Molecular FormulaC15H13Cl3O3
Molecular Weight347.63 g/mol
Exact Mass345.99
IUPAC Name(2-chloro-3,4-dimethoxyphenyl)-(2,5-dichlorophenyl)methanol
SMILESCOc1ccc(C(O)c2cc(Cl)ccc2Cl)c(Cl)c1OC
InChIInChI=1S/C15H13Cl3O3/c1-20-12-6-4-9(13(18)15(12)21-2)14(19)10-7-8(16)3-5-11(10)17/h3-7,14,19H,1-2H3
InChIKeyOBZMZEWKDALFGE-UHFFFAOYSA-N
XLogP4.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.63
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorophenyl)-(2-methoxyphenyl)methanol
CID 61082800
(5-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087442
(4-bromothiophen-3-yl)-(2-chloro-3,4-dimethoxyphenyl)methanol
CID 79596576
3-bromo-1-(2-chloro-3,4-dimethoxyphenyl)propane-1,2-diol
CID 171861224
(5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303352
3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol
CID 79138086
(4-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 63895530
1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene
CID 63445203
(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61101565
(4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 104546259
(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 63894185

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3,4-dimethoxyphenyl)-(2,5-dichlorophenyl)methanol?
The IUPAC name of (2-chloro-3,4-dimethoxyphenyl)-(2,5-dichlorophenyl)methanol (CID 63895329) is (2-chloro-3,4-dimethoxyphenyl)-(2,5-dichlorophenyl)methanol.
What is the SMILES notation for (2-chloro-3,4-dimethoxyphenyl)-(2,5-dichlorophenyl)methanol?
The canonical SMILES for (2-chloro-3,4-dimethoxyphenyl)-(2,5-dichlorophenyl)methanol is COc1ccc(C(O)c2cc(Cl)ccc2Cl)c(Cl)c1OC.
What is the InChIKey of (2-chloro-3,4-dimethoxyphenyl)-(2,5-dichlorophenyl)methanol?
The InChIKey is OBZMZEWKDALFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3O3/c1-20-12-6-4-9(13(18)15(12)21-2)14(19)10-7-8(16)3-5-11(10)17/h3-7,14,19H,1-2H3.
What are the key properties of (2-chloro-3,4-dimethoxyphenyl)-(2,5-dichlorophenyl)methanol?
(2-chloro-3,4-dimethoxyphenyl)-(2,5-dichlorophenyl)methanol has a molecular weight of 347.63 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3,4-dimethoxyphenyl)-(2,5-dichlorophenyl)methanol is sourced from PubChem (CID 63895329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).