1-(2-cyclopropylphenyl)-2-(3,4-dichlorophenyl)ethanol

C17H16Cl2O — CID 79983379

IUPAC1-(2-cyclopropylphenyl)-2-(3,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)c1ccccc1C1CC1
InChIInChI=1S/C17H16Cl2O/c18-15-8-5-11(9-16(15)19)10-17(20)14-4-2-1-3-13(14)12-6-7-12/h1-5,8-9,12,17,20H,6-7,10H2
InChIKeyQWQLBHUKXILQPV-UHFFFAOYSA-N
MW307.22 g/mol
LogP5.15
Rot. Bonds4

About 1-(2-cyclopropylphenyl)-2-(3,4-dichlorophenyl)ethanol

1-(2-cyclopropylphenyl)-2-(3,4-dichlorophenyl)ethanol (PubChem CID 79983379) has the molecular formula C17H16Cl2O and a molecular weight of 307.22 g/mol. Its IUPAC name is 1-(2-cyclopropylphenyl)-2-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-cyclopropylphenyl)-2-(3,4-dichlorophenyl)ethanol
PubChem CID79983379
Molecular FormulaC17H16Cl2O
Molecular Weight307.22 g/mol
Exact Mass306.06
IUPAC Name1-(2-cyclopropylphenyl)-2-(3,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)c1ccccc1C1CC1
InChIInChI=1S/C17H16Cl2O/c18-15-8-5-11(9-16(15)19)10-17(20)14-4-2-1-3-13(14)12-6-7-12/h1-5,8-9,12,17,20H,6-7,10H2
InChIKeyQWQLBHUKXILQPV-UHFFFAOYSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.22
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-cyclopropylphenyl)-2-phenylethanol
CID 79983635
2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol
CID 79982846
1-(2-cyclopropylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 79970895
1-(2-cyclopropylphenyl)-2-(2-fluorophenyl)ethanol
CID 79982321
1-(3-chloro-4-cyclopropylphenyl)propan-2-ol
CID 117300896
3-amino-1-(2-cyclopropylphenyl)propan-1-ol
CID 79982961
1-(4-cyclobutylphenyl)-2-(3,4-dichlorophenyl)ethanol
CID 116505751
2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol
CID 65148875
3-(2-cyclopropylphenyl)-3-hydroxypropanal
CID 114795310
2-(3-chloro-4-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 103038949
1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 105088030
2-(4-chloro-3-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 107883504

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylphenyl)-2-(3,4-dichlorophenyl)ethanol?
The IUPAC name of 1-(2-cyclopropylphenyl)-2-(3,4-dichlorophenyl)ethanol (CID 79983379) is 1-(2-cyclopropylphenyl)-2-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(2-cyclopropylphenyl)-2-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for 1-(2-cyclopropylphenyl)-2-(3,4-dichlorophenyl)ethanol is OC(Cc1ccc(Cl)c(Cl)c1)c1ccccc1C1CC1.
What is the InChIKey of 1-(2-cyclopropylphenyl)-2-(3,4-dichlorophenyl)ethanol?
The InChIKey is QWQLBHUKXILQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O/c18-15-8-5-11(9-16(15)19)10-17(20)14-4-2-1-3-13(14)12-6-7-12/h1-5,8-9,12,17,20H,6-7,10H2.
What are the key properties of 1-(2-cyclopropylphenyl)-2-(3,4-dichlorophenyl)ethanol?
1-(2-cyclopropylphenyl)-2-(3,4-dichlorophenyl)ethanol has a molecular weight of 307.22 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylphenyl)-2-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 79983379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).