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

C17H18Cl2O — CID 65316570

IUPAC1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(O)Cc2cc(Cl)ccc2Cl)cc1C
InChIInChI=1S/C17H18Cl2O/c1-11-4-5-14(8-12(11)2)17(3,20)10-13-9-15(18)6-7-16(13)19/h4-9,20H,10H2,1-3H3
InChIKeyFPRWIDQHZUIEFK-UHFFFAOYSA-N
MW309.24 g/mol
LogP5.06
Rot. Bonds3

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

1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol (PubChem CID 65316570) has the molecular formula C17H18Cl2O and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
PubChem CID65316570
Molecular FormulaC17H18Cl2O
Molecular Weight309.24 g/mol
Exact Mass308.07
IUPAC Name1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(O)Cc2cc(Cl)ccc2Cl)cc1C
InChIInChI=1S/C17H18Cl2O/c1-11-4-5-14(8-12(11)2)17(3,20)10-13-9-15(18)6-7-16(13)19/h4-9,20H,10H2,1-3H3
InChIKeyFPRWIDQHZUIEFK-UHFFFAOYSA-N
XLogP5.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.24
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dichlorophenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65316898
1-(2,5-dichlorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol
CID 65316614
1-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)propan-2-ol
CID 103047472
4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol
CID 102617435
1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 82920068
1-(2-chloro-5-fluorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol
CID 102617180
1-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol
CID 65146932
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 65146449
(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601210
(2R)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601211
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
CID 65145380
3-(2,5-dichlorophenyl)-1,1-dimethoxy-2-methylpropan-2-ol
CID 66037663

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol (CID 65316570) is 1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol is Cc1ccc(C(C)(O)Cc2cc(Cl)ccc2Cl)cc1C.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol?
The InChIKey is FPRWIDQHZUIEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O/c1-11-4-5-14(8-12(11)2)17(3,20)10-13-9-15(18)6-7-16(13)19/h4-9,20H,10H2,1-3H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol?
1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol has a molecular weight of 309.24 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 65316570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).