(3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol

C17H19ClO3 — CID 107098838

IUPAC(3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
SMILESCOc1cc(C)c(C(O)c2cccc(Cl)c2C)cc1OC
InChIInChI=1S/C17H19ClO3/c1-10-8-15(20-3)16(21-4)9-13(10)17(19)12-6-5-7-14(18)11(12)2/h5-9,17,19H,1-4H3
InChIKeyZBSRFDDSLNAACW-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.06
Rot. Bonds4

About (3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol

(3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol (PubChem CID 107098838) has the molecular formula C17H19ClO3 and a molecular weight of 306.79 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
PubChem CID107098838
Molecular FormulaC17H19ClO3
Molecular Weight306.79 g/mol
Exact Mass306.10
IUPAC Name(3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
SMILESCOc1cc(C)c(C(O)c2cccc(Cl)c2C)cc1OC
InChIInChI=1S/C17H19ClO3/c1-10-8-15(20-3)16(21-4)9-13(10)17(19)12-6-5-7-14(18)11(12)2/h5-9,17,19H,1-4H3
InChIKeyZBSRFDDSLNAACW-UHFFFAOYSA-N
XLogP4.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-2-methylphenyl)methanol
CID 107098959
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081131
(2-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 63895830
(5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61080574
(2-bromo-4,5-dimethoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61087207
(2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081893
(4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791592
(3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 107103538
1-[chloro-(3-chloro-2-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 107099241
(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107098922
(4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 81293426
1-[chloro-(2,3-dimethylphenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63435134

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
The IUPAC name of (3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol (CID 107098838) is (3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol.
What is the SMILES notation for (3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
The canonical SMILES for (3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol is COc1cc(C)c(C(O)c2cccc(Cl)c2C)cc1OC.
What is the InChIKey of (3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
The InChIKey is ZBSRFDDSLNAACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO3/c1-10-8-15(20-3)16(21-4)9-13(10)17(19)12-6-5-7-14(18)11(12)2/h5-9,17,19H,1-4H3.
What are the key properties of (3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
(3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol has a molecular weight of 306.79 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol is sourced from PubChem (CID 107098838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).