1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol

C16H16Cl2O2 — CID 62605970

IUPAC1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2O2/c1-20-15-6-2-11(3-7-15)8-14(19)9-12-4-5-13(17)10-16(12)18/h2-7,10,14,19H,8-9H2,1H3
InChIKeyQKGKVRLEMMMMJU-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.15
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol

1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol (PubChem CID 62605970) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
PubChem CID62605970
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2O2/c1-20-15-6-2-11(3-7-15)8-14(19)9-12-4-5-13(17)10-16(12)18/h2-7,10,14,19H,8-9H2,1H3
InChIKeyQKGKVRLEMMMMJU-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-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61373626
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
3-(2,4-dichlorophenyl)-1,2-bis(4-methoxyphenyl)propan-1-ol
CID 10251383
1-(2,4-dichlorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920805
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62162037
1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 65444557
[4-[3-(2,4-dichlorophenyl)-2-methylpropyl]phenyl]methanol
CID 142816012
1-(2-fluorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61373072
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375136

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol (CID 62605970) is 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol is COc1ccc(CC(O)Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol?
The InChIKey is QKGKVRLEMMMMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-20-15-6-2-11(3-7-15)8-14(19)9-12-4-5-13(17)10-16(12)18/h2-7,10,14,19H,8-9H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol?
1-(2,4-dichlorophenyl)-3-(4-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-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 62605970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).