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

C16H17ClO4 — CID 115821652

IUPAC(4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
SMILESCOc1cc(OC)cc(C(O)c2ccc(Cl)cc2OC)c1
InChIInChI=1S/C16H17ClO4/c1-19-12-6-10(7-13(9-12)20-2)16(18)14-5-4-11(17)8-15(14)21-3/h4-9,16,18H,1-3H3
InChIKeyMDTODVQODVNIHG-UHFFFAOYSA-N
MW308.76 g/mol
LogP3.45
Rot. Bonds5

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

(4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol (PubChem CID 115821652) has the molecular formula C16H17ClO4 and a molecular weight of 308.76 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
PubChem CID115821652
Molecular FormulaC16H17ClO4
Molecular Weight308.76 g/mol
Exact Mass308.08
IUPAC Name(4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
SMILESCOc1cc(OC)cc(C(O)c2ccc(Cl)cc2OC)c1
InChIInChI=1S/C16H17ClO4/c1-19-12-6-10(7-13(9-12)20-2)16(18)14-5-4-11(17)8-15(14)21-3/h4-9,16,18H,1-3H3
InChIKeyMDTODVQODVNIHG-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

(4-chloro-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823109
(4-chloro-2-methoxyphenyl)-(3-chloro-4-methylphenyl)methanol
CID 107560197
(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 115793883
(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
(4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 63426444
(3,5-dimethoxyphenyl)-(3-methoxy-4-pyridinyl)methanol
CID 105066374
(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 61101584
(4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 79697124
(2,5-difluorophenyl)-(3,5-dimethoxyphenyl)methanol
CID 61100108
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
(4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115829313
(4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791592

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol?
The IUPAC name of (4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol (CID 115821652) is (4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol is COc1cc(OC)cc(C(O)c2ccc(Cl)cc2OC)c1.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol?
The InChIKey is MDTODVQODVNIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO4/c1-19-12-6-10(7-13(9-12)20-2)16(18)14-5-4-11(17)8-15(14)21-3/h4-9,16,18H,1-3H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol?
(4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)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 (4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 115821652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).