1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol

C17H19ClO3 — CID 115818086

IUPAC1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2ccc(Cl)c(OC)c2)cc1
InChIInChI=1S/C17H19ClO3/c1-20-14-7-3-12(4-8-14)5-10-16(19)13-6-9-15(18)17(11-13)21-2/h3-4,6-9,11,16,19H,5,10H2,1-2H3
InChIKeySVUWPCSIEREURM-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.02
Rot. Bonds6

About 1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol

1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol (PubChem CID 115818086) has the molecular formula C17H19ClO3 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol
PubChem CID115818086
Molecular FormulaC17H19ClO3
Molecular Weight306.79 g/mol
Exact Mass306.10
IUPAC Name1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2ccc(Cl)c(OC)c2)cc1
InChIInChI=1S/C17H19ClO3/c1-20-14-7-3-12(4-8-14)5-10-16(19)13-6-9-15(18)17(11-13)21-2/h3-4,6-9,11,16,19H,5,10H2,1-2H3
InChIKeySVUWPCSIEREURM-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol
CID 105111101
3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol
CID 84784431
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 102441860
1-(4-chloro-3-methoxyphenyl)octan-1-ol
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CID 115817958
1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol
CID 79697442
1-(4-chloro-3-methoxyphenyl)-3-phenoxypropan-1-ol
CID 79698805
1-(4-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 81436909
1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803162
1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol
CID 79699856
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 12648153

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol (CID 115818086) is 1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol is COc1ccc(CCC(O)c2ccc(Cl)c(OC)c2)cc1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol?
The InChIKey is SVUWPCSIEREURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO3/c1-20-14-7-3-12(4-8-14)5-10-16(19)13-6-9-15(18)17(11-13)21-2/h3-4,6-9,11,16,19H,5,10H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol?
1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol has a molecular weight of 306.79 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 115818086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).