(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol

C14H11Cl3O2 — CID 61101565

IUPAC(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C14H11Cl3O2/c1-19-13-5-2-8(6-12(13)17)14(18)10-4-3-9(15)7-11(10)16/h2-7,14,18H,1H3
InChIKeyXLYPZVVCUPOSRZ-UHFFFAOYSA-N
MW317.60 g/mol
LogP4.74
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol

(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol (PubChem CID 61101565) has the molecular formula C14H11Cl3O2 and a molecular weight of 317.60 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
PubChem CID61101565
Molecular FormulaC14H11Cl3O2
Molecular Weight317.60 g/mol
Exact Mass315.98
IUPAC Name(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C14H11Cl3O2/c1-19-13-5-2-8(6-12(13)17)14(18)10-4-3-9(15)7-11(10)16/h2-7,14,18H,1H3
InChIKeyXLYPZVVCUPOSRZ-UHFFFAOYSA-N
XLogP4.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.60
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61083249
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992
(2-chloro-4-fluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
CID 61099671
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 55197592
(4-chloro-2-methoxyphenyl)-(3-chloro-4-methylphenyl)methanol
CID 107560197
(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
CID 82772510
(2-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61081471
(4-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 63895530
(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol
CID 61100698
(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
(2,4-dichlorophenyl)-(4-fluorophenyl)methanol
CID 20506318
(2,4-dichlorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 61099046

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol (CID 61101565) is (3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol is COc1ccc(C(O)c2ccc(Cl)cc2Cl)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol?
The InChIKey is XLYPZVVCUPOSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3O2/c1-19-13-5-2-8(6-12(13)17)14(18)10-4-3-9(15)7-11(10)16/h2-7,14,18H,1H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol?
(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol has a molecular weight of 317.60 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol is sourced from PubChem (CID 61101565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).