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

C17H18Cl2O — CID 65321613

IUPAC1-(2,5-dichlorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2cc(Cl)ccc2Cl)cc1C
InChIInChI=1S/C17H18Cl2O/c1-11-3-4-13(7-12(11)2)8-16(20)10-14-9-15(18)5-6-17(14)19/h3-7,9,16,20H,8,10H2,1-2H3
InChIKeyUSMSDSHWYUUEQO-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.76
Rot. Bonds4

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

1-(2,5-dichlorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol (PubChem CID 65321613) has the molecular formula C17H18Cl2O and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
PubChem CID65321613
Molecular FormulaC17H18Cl2O
Molecular Weight309.24 g/mol
Exact Mass308.07
IUPAC Name1-(2,5-dichlorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2cc(Cl)ccc2Cl)cc1C
InChIInChI=1S/C17H18Cl2O/c1-11-3-4-13(7-12(11)2)8-16(20)10-14-9-15(18)5-6-17(14)19/h3-7,9,16,20H,8,10H2,1-2H3
InChIKeyUSMSDSHWYUUEQO-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 106867310
1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 115983563
1-(2,5-dichlorophenyl)-3-(3,5-difluorophenyl)propan-2-ol
CID 65321219
1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 62899782
1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 102617916
1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol
CID 114347424
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115484564
1-(2,4-dichlorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920805
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018032
1-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propan-2-ol
CID 105081897
1-(2,5-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 65321611
2-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-4-chloro-1-methylbenzene
CID 82891114

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol (CID 65321613) is 1-(2,5-dichlorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol is Cc1ccc(CC(O)Cc2cc(Cl)ccc2Cl)cc1C.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol?
The InChIKey is USMSDSHWYUUEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O/c1-11-3-4-13(7-12(11)2)8-16(20)10-14-9-15(18)5-6-17(14)19/h3-7,9,16,20H,8,10H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol?
1-(2,5-dichlorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol has a molecular weight of 309.24 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 65321613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).