2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol

C17H18Cl2O2 — CID 63410917

IUPAC2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2O2/c1-11(2)21-15-7-4-12(5-8-15)17(20)9-13-3-6-14(18)10-16(13)19/h3-8,10-11,17,20H,9H2,1-2H3
InChIKeyFBGOBXFXSAYQAL-UHFFFAOYSA-N
MW325.24 g/mol
LogP5.06
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol

2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol (PubChem CID 63410917) has the molecular formula C17H18Cl2O2 and a molecular weight of 325.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
PubChem CID63410917
Molecular FormulaC17H18Cl2O2
Molecular Weight325.24 g/mol
Exact Mass324.07
IUPAC Name2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(O)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2O2/c1-11(2)21-15-7-4-12(5-8-15)17(20)9-13-3-6-14(18)10-16(13)19/h3-8,10-11,17,20H,9H2,1-2H3
InChIKeyFBGOBXFXSAYQAL-UHFFFAOYSA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.24
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanol
CID 65146137
2-(2-chloro-3-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 115983362
2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 62796974
1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol
CID 60902136
3-(2,4-dichlorophenyl)-1,2-bis(4-methoxyphenyl)propan-1-ol
CID 10251383
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol
CID 105095527
1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 65316618
2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol
CID 10612074
2-(2,4-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 79704311
1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol
CID 106695721
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
2-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 61087614

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol (CID 63410917) is 2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol is CC(C)Oc1ccc(C(O)Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol?
The InChIKey is FBGOBXFXSAYQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O2/c1-11(2)21-15-7-4-12(5-8-15)17(20)9-13-3-6-14(18)10-16(13)19/h3-8,10-11,17,20H,9H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol?
2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol has a molecular weight of 325.24 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 63410917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).