(3-chloro-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol

C16H17ClO4 — CID 60955788

IUPAC(3-chloro-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2cc(Cl)c(OC)c(OC)c2)c1
InChIInChI=1S/C16H17ClO4/c1-19-12-6-4-5-10(7-12)15(18)11-8-13(17)16(21-3)14(9-11)20-2/h4-9,15,18H,1-3H3
InChIKeyJSXXYHHLZHTWPS-UHFFFAOYSA-N
MW308.76 g/mol
LogP3.45
Rot. Bonds5

About (3-chloro-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol

(3-chloro-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol (PubChem CID 60955788) has the molecular formula C16H17ClO4 and a molecular weight of 308.76 g/mol. Its IUPAC name is (3-chloro-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
PubChem CID60955788
Molecular FormulaC16H17ClO4
Molecular Weight308.76 g/mol
Exact Mass308.08
IUPAC Name(3-chloro-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2cc(Cl)c(OC)c(OC)c2)c1
InChIInChI=1S/C16H17ClO4/c1-19-12-6-4-5-10(7-12)15(18)11-8-13(17)16(21-3)14(9-11)20-2/h4-9,15,18H,1-3H3
InChIKeyJSXXYHHLZHTWPS-UHFFFAOYSA-N
XLogP3.45
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dichlorophenyl)-(3-methoxyphenyl)methanol
CID 61083356
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658
(3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol
CID 63947956
(4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 79697124
(3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099476
[4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol
CID 63893480
(3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol
CID 62800710
(3-fluoro-5-methylphenyl)-(3-methoxyphenyl)methanol
CID 79689828
(3,4-dichlorophenyl)-(3-methoxy-4-methylphenyl)methanol
CID 61081399
(3-methoxyphenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985249
(3-methoxyphenyl)-(4-propylphenyl)methanol
CID 61087387

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol?
The IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol (CID 60955788) is (3-chloro-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol.
What is the SMILES notation for (3-chloro-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol?
The canonical SMILES for (3-chloro-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol is COc1cccc(C(O)c2cc(Cl)c(OC)c(OC)c2)c1.
What is the InChIKey of (3-chloro-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol?
The InChIKey is JSXXYHHLZHTWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO4/c1-19-12-6-4-5-10(7-12)15(18)11-8-13(17)16(21-3)14(9-11)20-2/h4-9,15,18H,1-3H3.
What are the key properties of (3-chloro-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol?
(3-chloro-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol has a molecular weight of 308.76 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol is sourced from PubChem (CID 60955788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).