(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol

C15H14Cl2O2 — CID 81324307

IUPAC(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(C)cc(Cl)c2)cc1Cl
InChIInChI=1S/C15H14Cl2O2/c1-9-5-11(7-12(16)6-9)15(18)10-3-4-14(19-2)13(17)8-10/h3-8,15,18H,1-2H3
InChIKeyJBJYLRRNGHIXFA-UHFFFAOYSA-N
MW297.18 g/mol
LogP4.39
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol

(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol (PubChem CID 81324307) has the molecular formula C15H14Cl2O2 and a molecular weight of 297.18 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
PubChem CID81324307
Molecular FormulaC15H14Cl2O2
Molecular Weight297.18 g/mol
Exact Mass296.04
IUPAC Name(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(C)cc(Cl)c2)cc1Cl
InChIInChI=1S/C15H14Cl2O2/c1-9-5-11(7-12(16)6-9)15(18)10-3-4-14(19-2)13(17)8-10/h3-8,15,18H,1-2H3
InChIKeyJBJYLRRNGHIXFA-UHFFFAOYSA-N
XLogP4.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 115818074
(3-chloro-4-methoxyphenyl)-(3,5-difluorophenyl)methanol
CID 61100009
(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol
CID 61100698
(3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 104661029
N-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 81315754
1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
CID 55198869
(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61101565
(3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 61099330
(3-chloro-4-methoxyphenyl)-(3-fluorophenyl)methanol
CID 61101567
(3-chloro-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 81316466
2-chloro-4-[chloro-(4-methylphenyl)methyl]-1-methoxybenzene
CID 55198679
(4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324135

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol (CID 81324307) is (3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol is COc1ccc(C(O)c2cc(C)cc(Cl)c2)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol?
The InChIKey is JBJYLRRNGHIXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O2/c1-9-5-11(7-12(16)6-9)15(18)10-3-4-14(19-2)13(17)8-10/h3-8,15,18H,1-2H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol?
(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol has a molecular weight of 297.18 g/mol, XLogP of 4.39, 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)-(3-chloro-5-methylphenyl)methanol is sourced from PubChem (CID 81324307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).