1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol

C17H18Cl2O2 — CID 62162037

IUPAC1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
SMILESCOc1ccc(C)cc1CC(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2O2/c1-11-3-6-17(21-2)13(7-11)9-15(20)8-12-4-5-14(18)10-16(12)19/h3-7,10,15,20H,8-9H2,1-2H3
InChIKeyROALFFOWNUCWKU-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.46
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol

1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol (PubChem CID 62162037) has the molecular formula C17H18Cl2O2 and a molecular weight of 325.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
PubChem CID62162037
Molecular FormulaC17H18Cl2O2
Molecular Weight325.24 g/mol
Exact Mass324.07
IUPAC Name1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
SMILESCOc1ccc(C)cc1CC(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2O2/c1-11-3-6-17(21-2)13(7-11)9-15(20)8-12-4-5-14(18)10-16(12)19/h3-7,10,15,20H,8-9H2,1-2H3
InChIKeyROALFFOWNUCWKU-UHFFFAOYSA-N
XLogP4.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-(4-chlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62161181
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 62605970
4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol
CID 62161184
3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid
CID 82080605
1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-4-fluorophenyl)propan-2-ol
CID 63035597
2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 62796974
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 114854536

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol (CID 62162037) is 1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol is COc1ccc(C)cc1CC(O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol?
The InChIKey is ROALFFOWNUCWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O2/c1-11-3-6-17(21-2)13(7-11)9-15(20)8-12-4-5-14(18)10-16(12)19/h3-7,10,15,20H,8-9H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol?
1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol has a molecular weight of 325.24 g/mol, XLogP of 4.46, 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-(2-methoxy-5-methylphenyl)propan-2-ol is sourced from PubChem (CID 62162037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).