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

C16H17ClO4 — CID 79697124

IUPAC(4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
SMILESCOc1cc(OC)cc(C(O)c2ccc(Cl)c(OC)c2)c1
InChIInChI=1S/C16H17ClO4/c1-19-12-6-11(7-13(9-12)20-2)16(18)10-4-5-14(17)15(8-10)21-3/h4-9,16,18H,1-3H3
InChIKeyZMCMENJTTADJJE-UHFFFAOYSA-N
MW308.76 g/mol
LogP3.45
Rot. Bonds5

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

(4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol (PubChem CID 79697124) has the molecular formula C16H17ClO4 and a molecular weight of 308.76 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
PubChem CID79697124
Molecular FormulaC16H17ClO4
Molecular Weight308.76 g/mol
Exact Mass308.08
IUPAC Name(4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
SMILESCOc1cc(OC)cc(C(O)c2ccc(Cl)c(OC)c2)c1
InChIInChI=1S/C16H17ClO4/c1-19-12-6-11(7-13(9-12)20-2)16(18)10-4-5-14(17)15(8-10)21-3/h4-9,16,18H,1-3H3
InChIKeyZMCMENJTTADJJE-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-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol
CID 79699607
(4-chloro-3-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 115818074
(3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 107947631
(S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol
CID 129391240
(4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 81437123
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 79697409
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 115818011
(R)-[3,4-bis(difluoromethoxy)phenyl]-(3,5-dimethoxyphenyl)methanol
CID 129391775
(3-chloro-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
CID 60955788
(3,4-dichlorophenyl)-(3-methoxy-4-methylphenyl)methanol
CID 61081399
(3,4-dichlorophenyl)-(3-methoxyphenyl)methanol
CID 61083356
1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol
CID 79697442

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol (CID 79697124) is (4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol is COc1cc(OC)cc(C(O)c2ccc(Cl)c(OC)c2)c1.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol?
The InChIKey is ZMCMENJTTADJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO4/c1-19-12-6-11(7-13(9-12)20-2)16(18)10-4-5-14(17)15(8-10)21-3/h4-9,16,18H,1-3H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol?
(4-chloro-3-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-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 79697124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).