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

C15H21ClO3S — CID 116779682

IUPAC2-(2-chlorophenyl)sulfanyl-1-(4-ethoxyoxan-4-yl)ethanol
SMILESCCOC1(C(O)CSc2ccccc2Cl)CCOCC1
InChIInChI=1S/C15H21ClO3S/c1-2-19-15(7-9-18-10-8-15)14(17)11-20-13-6-4-3-5-12(13)16/h3-6,14,17H,2,7-11H2,1H3
InChIKeyWQIGHLLNNWCHFI-UHFFFAOYSA-N
MW316.85 g/mol
LogP3.38
Rot. Bonds6

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

2-(2-chlorophenyl)sulfanyl-1-(4-ethoxyoxan-4-yl)ethanol (PubChem CID 116779682) has the molecular formula C15H21ClO3S and a molecular weight of 316.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(4-ethoxyoxan-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(4-ethoxyoxan-4-yl)ethanol
PubChem CID116779682
Molecular FormulaC15H21ClO3S
Molecular Weight316.85 g/mol
Exact Mass316.09
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(4-ethoxyoxan-4-yl)ethanol
SMILESCCOC1(C(O)CSc2ccccc2Cl)CCOCC1
InChIInChI=1S/C15H21ClO3S/c1-2-19-15(7-9-18-10-8-15)14(17)11-20-13-6-4-3-5-12(13)16/h3-6,14,17H,2,7-11H2,1H3
InChIKeyWQIGHLLNNWCHFI-UHFFFAOYSA-N
XLogP3.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116779678
2-(2-chlorophenyl)sulfanyl-1-(1-methoxycyclohexyl)ethanol
CID 116779685
2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754158
(3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754164
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754296
2-(2-chloro-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754152
2-(2-chlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753633
2-(3-chlorophenyl)sulfanyl-1-(1-ethoxy-4-methylcyclohexyl)ethanol
CID 116779701
1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162
(4-ethoxyoxan-4-yl)-phenylmethanamine
CID 116765292
1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol
CID 66152395
1-(2-chlorophenyl)sulfanyl-3-ethoxyhexan-2-ol
CID 116732121

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(4-ethoxyoxan-4-yl)ethanol?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(4-ethoxyoxan-4-yl)ethanol (CID 116779682) is 2-(2-chlorophenyl)sulfanyl-1-(4-ethoxyoxan-4-yl)ethanol.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(4-ethoxyoxan-4-yl)ethanol?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(4-ethoxyoxan-4-yl)ethanol is CCOC1(C(O)CSc2ccccc2Cl)CCOCC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(4-ethoxyoxan-4-yl)ethanol?
The InChIKey is WQIGHLLNNWCHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO3S/c1-2-19-15(7-9-18-10-8-15)14(17)11-20-13-6-4-3-5-12(13)16/h3-6,14,17H,2,7-11H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(4-ethoxyoxan-4-yl)ethanol?
2-(2-chlorophenyl)sulfanyl-1-(4-ethoxyoxan-4-yl)ethanol has a molecular weight of 316.85 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(4-ethoxyoxan-4-yl)ethanol is sourced from PubChem (CID 116779682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).