2-(3-chlorophenyl)-1-(1,4-dioxan-2-yl)ethanol

C12H15ClO3 — CID 65350697

IUPAC2-(3-chlorophenyl)-1-(1,4-dioxan-2-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1)C1COCCO1
InChIInChI=1S/C12H15ClO3/c13-10-3-1-2-9(6-10)7-11(14)12-8-15-4-5-16-12/h1-3,6,11-12,14H,4-5,7-8H2
InChIKeyAHUMZQUKZSPHNT-UHFFFAOYSA-N
MW242.70 g/mol
LogP1.66
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(1,4-dioxan-2-yl)ethanol

2-(3-chlorophenyl)-1-(1,4-dioxan-2-yl)ethanol (PubChem CID 65350697) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(1,4-dioxan-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(1,4-dioxan-2-yl)ethanol
PubChem CID65350697
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name2-(3-chlorophenyl)-1-(1,4-dioxan-2-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1)C1COCCO1
InChIInChI=1S/C12H15ClO3/c13-10-3-1-2-9(6-10)7-11(14)12-8-15-4-5-16-12/h1-3,6,11-12,14H,4-5,7-8H2
InChIKeyAHUMZQUKZSPHNT-UHFFFAOYSA-N
XLogP1.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol
CID 65351287
1-(1,4-dioxan-2-yl)-2-phenylethanol
CID 57153812
2-(3-chlorophenyl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 79666850
1-(1,4-dioxan-2-yl)-2-(4-ethylphenyl)ethanol
CID 65350862
1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol
CID 65350596
3-(3-chlorophenyl)-2-(oxolan-3-yl)propanoic acid
CID 79419047
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
N-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 60961630
2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909726
2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 65389818
(4-chlorophenyl)-(1,4-dioxan-2-yl)methanol
CID 62803673
2-(5-bromo-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanol
CID 65350705

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(1,4-dioxan-2-yl)ethanol?
The IUPAC name of 2-(3-chlorophenyl)-1-(1,4-dioxan-2-yl)ethanol (CID 65350697) is 2-(3-chlorophenyl)-1-(1,4-dioxan-2-yl)ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(1,4-dioxan-2-yl)ethanol?
The canonical SMILES for 2-(3-chlorophenyl)-1-(1,4-dioxan-2-yl)ethanol is OC(Cc1cccc(Cl)c1)C1COCCO1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(1,4-dioxan-2-yl)ethanol?
The InChIKey is AHUMZQUKZSPHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c13-10-3-1-2-9(6-10)7-11(14)12-8-15-4-5-16-12/h1-3,6,11-12,14H,4-5,7-8H2.
What are the key properties of 2-(3-chlorophenyl)-1-(1,4-dioxan-2-yl)ethanol?
2-(3-chlorophenyl)-1-(1,4-dioxan-2-yl)ethanol has a molecular weight of 242.70 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(1,4-dioxan-2-yl)ethanol is sourced from PubChem (CID 65350697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).