1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol

C17H19ClO3 — CID 62608604

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
SMILESCOc1ccccc1CC(O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C17H19ClO3/c1-20-16-6-4-3-5-12(16)10-15(19)11-13-9-14(18)7-8-17(13)21-2/h3-9,15,19H,10-11H2,1-2H3
InChIKeyRERBDLBQMPTOOP-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.50
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol

1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol (PubChem CID 62608604) has the molecular formula C17H19ClO3 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
PubChem CID62608604
Molecular FormulaC17H19ClO3
Molecular Weight306.79 g/mol
Exact Mass306.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
SMILESCOc1ccccc1CC(O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C17H19ClO3/c1-20-16-6-4-3-5-12(16)10-15(19)11-13-9-14(18)7-8-17(13)21-2/h3-9,15,19H,10-11H2,1-2H3
InChIKeyRERBDLBQMPTOOP-UHFFFAOYSA-N
XLogP3.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 114854536
1-(2-chlorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61261227
1-(2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61263658
1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096098
1-(5-chloro-2-fluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 55151769
1-(4-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-ol
CID 105081523
1-(5-chloro-2-methoxyphenyl)-4-methylsulfanylbutan-2-ol
CID 65148808
1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol
CID 65091964
1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62162037
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62620437
1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one
CID 104844961

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol (CID 62608604) is 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol is COc1ccccc1CC(O)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol?
The InChIKey is RERBDLBQMPTOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO3/c1-20-16-6-4-3-5-12(16)10-15(19)11-13-9-14(18)7-8-17(13)21-2/h3-9,15,19H,10-11H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol?
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol has a molecular weight of 306.79 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 62608604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).