1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol

C16H16Cl2O2 — CID 62606541

IUPAC1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol
SMILESCOc1cccc(CC(O)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H16Cl2O2/c1-20-13-5-2-4-11(9-13)8-12(19)10-14-15(17)6-3-7-16(14)18/h2-7,9,12,19H,8,10H2,1H3
InChIKeyHZFYLOQWFWMOON-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.15
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol

1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol (PubChem CID 62606541) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol
PubChem CID62606541
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol
SMILESCOc1cccc(CC(O)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H16Cl2O2/c1-20-13-5-2-4-11(9-13)8-12(19)10-14-15(17)6-3-7-16(14)18/h2-7,9,12,19H,8,10H2,1H3
InChIKeyHZFYLOQWFWMOON-UHFFFAOYSA-N
XLogP4.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol
CID 62608080
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CID 61261615
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CID 115983556
5-chloro-1-(3-methoxyphenyl)pentan-2-ol
CID 66046833
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240
1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol
CID 79697442
2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 82141109
1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63022137
1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
CID 103039559
[2-(2,6-dichlorophenyl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191602
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene
CID 55224657
1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol
CID 114473809

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol (CID 62606541) is 1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol is COc1cccc(CC(O)Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol?
The InChIKey is HZFYLOQWFWMOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-20-13-5-2-4-11(9-13)8-12(19)10-14-15(17)6-3-7-16(14)18/h2-7,9,12,19H,8,10H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol?
1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol has a molecular weight of 311.21 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 62606541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).