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

C16H16Cl2O — CID 79437313

IUPAC3-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CO)Cc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H16Cl2O/c1-11-2-4-12(5-3-11)14(10-19)8-13-9-15(17)6-7-16(13)18/h2-7,9,14,19H,8,10H2,1H3
InChIKeyZDBDXJOKZBVCTN-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.62
Rot. Bonds4

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

3-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol (PubChem CID 79437313) has the molecular formula C16H16Cl2O and a molecular weight of 295.21 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
PubChem CID79437313
Molecular FormulaC16H16Cl2O
Molecular Weight295.21 g/mol
Exact Mass294.06
IUPAC Name3-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CO)Cc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H16Cl2O/c1-11-2-4-12(5-3-11)14(10-19)8-13-9-15(17)6-7-16(13)18/h2-7,9,14,19H,8,10H2,1H3
InChIKeyZDBDXJOKZBVCTN-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,5-dichlorophenyl)-2-phenylpropan-1-ol
CID 66059419
2-(2,5-dichlorophenyl)-1-(4-methylphenyl)ethanol
CID 65316953
3-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79430391
3-(2,6-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 79435910
3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 102619951
1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 65316618
(1R)-N-[(2,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356867
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 65316811
3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine
CID 65431893
2-[2-(bromomethyl)-3-(4-methylphenyl)propyl]-1,4-dichlorobenzene
CID 66042274
3-(2,4-dichlorophenyl)-2-phenylpropan-1-ol;methanesulfonic acid
CID 88843715
3-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 105410820

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol (CID 79437313) is 3-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol is Cc1ccc(C(CO)Cc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 3-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol?
The InChIKey is ZDBDXJOKZBVCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O/c1-11-2-4-12(5-3-11)14(10-19)8-13-9-15(17)6-7-16(13)18/h2-7,9,14,19H,8,10H2,1H3.
What are the key properties of 3-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol?
3-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol has a molecular weight of 295.21 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 79437313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).