2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol

C15H21ClO3 — CID 116754296

IUPAC2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
SMILESCCOC1(C(O)Cc2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C15H21ClO3/c1-2-19-15(6-8-18-9-7-15)14(17)11-12-4-3-5-13(16)10-12/h3-5,10,14,17H,2,6-9,11H2,1H3
InChIKeyBKJDJBUYLSQPLL-UHFFFAOYSA-N
MW284.78 g/mol
LogP2.83
Rot. Bonds5

About 2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol

2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol (PubChem CID 116754296) has the molecular formula C15H21ClO3 and a molecular weight of 284.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
PubChem CID116754296
Molecular FormulaC15H21ClO3
Molecular Weight284.78 g/mol
Exact Mass284.12
IUPAC Name2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
SMILESCCOC1(C(O)Cc2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C15H21ClO3/c1-2-19-15(6-8-18-9-7-15)14(17)11-12-4-3-5-13(16)10-12/h3-5,10,14,17H,2,6-9,11H2,1H3
InChIKeyBKJDJBUYLSQPLL-UHFFFAOYSA-N
XLogP2.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine
CID 116765885
2-(2-chloro-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754152
2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116765000
2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755700
N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765198
2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754158
2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754232
[2-(3-chlorophenyl)-1-(1-ethoxycyclopentyl)ethyl]hydrazine
CID 105275871
1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol
CID 116754724
2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764102
(3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754164

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol?
The IUPAC name of 2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol (CID 116754296) is 2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol?
The canonical SMILES for 2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol is CCOC1(C(O)Cc2cccc(Cl)c2)CCOCC1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol?
The InChIKey is BKJDJBUYLSQPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO3/c1-2-19-15(6-8-18-9-7-15)14(17)11-12-4-3-5-13(16)10-12/h3-5,10,14,17H,2,6-9,11H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol?
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol has a molecular weight of 284.78 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol is sourced from PubChem (CID 116754296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).