2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol

C16H23ClO2 — CID 114622580

IUPAC2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
SMILESCC1(C)CC(C(O)Cc2ccc(Cl)cc2)C(C)(C)O1
InChIInChI=1S/C16H23ClO2/c1-15(2)10-13(16(3,4)19-15)14(18)9-11-5-7-12(17)8-6-11/h5-8,13-14,18H,9-10H2,1-4H3
InChIKeySYBWZWIEJWJQCE-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.84
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol

2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol (PubChem CID 114622580) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
PubChem CID114622580
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
SMILESCC1(C)CC(C(O)Cc2ccc(Cl)cc2)C(C)(C)O1
InChIInChI=1S/C16H23ClO2/c1-15(2)10-13(16(3,4)19-15)14(18)9-11-5-7-12(17)8-6-11/h5-8,13-14,18H,9-10H2,1-4H3
InChIKeySYBWZWIEJWJQCE-UHFFFAOYSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol
CID 107003081
2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 115838834
2-(3-chloro-2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622732
3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114622047
2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol
CID 107005515
(2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622632
2-(4-chlorophenoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 105189139
2-(4-chlorophenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114623206
2-(3-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114622806
2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622710
3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol
CID 114622056
2-(3,4-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 105052994

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol (CID 114622580) is 2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol is CC1(C)CC(C(O)Cc2ccc(Cl)cc2)C(C)(C)O1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol?
The InChIKey is SYBWZWIEJWJQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO2/c1-15(2)10-13(16(3,4)19-15)14(18)9-11-5-7-12(17)8-6-11/h5-8,13-14,18H,9-10H2,1-4H3.
What are the key properties of 2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol?
2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol has a molecular weight of 282.81 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol is sourced from PubChem (CID 114622580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).