6-[2-(3,4-dichlorophenyl)-1-hydroxyethyl]-3H-1,3-benzoxazol-2-one

C15H11Cl2NO3 — CID 63047192

IUPAC6-[2-(3,4-dichlorophenyl)-1-hydroxyethyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(C(O)Cc3ccc(Cl)c(Cl)c3)cc2o1
InChIInChI=1S/C15H11Cl2NO3/c16-10-3-1-8(5-11(10)17)6-13(19)9-2-4-12-14(7-9)21-15(20)18-12/h1-5,7,13,19H,6H2,(H,18,20)
InChIKeyUPLITSWXEYTJPD-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.70
Rot. Bonds3

About 6-[2-(3,4-dichlorophenyl)-1-hydroxyethyl]-3H-1,3-benzoxazol-2-one

6-[2-(3,4-dichlorophenyl)-1-hydroxyethyl]-3H-1,3-benzoxazol-2-one (PubChem CID 63047192) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is 6-[2-(3,4-dichlorophenyl)-1-hydroxyethyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[2-(3,4-dichlorophenyl)-1-hydroxyethyl]-3H-1,3-benzoxazol-2-one
PubChem CID63047192
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name6-[2-(3,4-dichlorophenyl)-1-hydroxyethyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(C(O)Cc3ccc(Cl)c(Cl)c3)cc2o1
InChIInChI=1S/C15H11Cl2NO3/c16-10-3-1-8(5-11(10)17)6-13(19)9-2-4-12-14(7-9)21-15(20)18-12/h1-5,7,13,19H,6H2,(H,18,20)
InChIKeyUPLITSWXEYTJPD-UHFFFAOYSA-N
XLogP3.70
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one
CID 61089511
6-(1-hydroxydecyl)-3H-1,3-benzoxazol-2-one
CID 65426000
5-hydroxy-5-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanoic acid
CID 43322377
6-[1-chloro-2-(4-methylphenyl)ethyl]-3H-1,3-benzoxazol-2-one
CID 61084211
1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 155113953
6-(1-chloro-3-methylbutyl)-3H-1,3-benzoxazol-2-one
CID 61086442
6-[1-bromo-2-(2-chlorophenyl)ethyl]-3H-1,3-benzoxazol-2-one
CID 61097559
2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol
CID 115482625
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
6-(3-cyclohexyl-1-hydroxypropyl)-3H-1,3-benzoxazol-2-one
CID 61089171
2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 62607593
3,4-dihydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoic acid
CID 171877904

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-dichlorophenyl)-1-hydroxyethyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[2-(3,4-dichlorophenyl)-1-hydroxyethyl]-3H-1,3-benzoxazol-2-one (CID 63047192) is 6-[2-(3,4-dichlorophenyl)-1-hydroxyethyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[2-(3,4-dichlorophenyl)-1-hydroxyethyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[2-(3,4-dichlorophenyl)-1-hydroxyethyl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(C(O)Cc3ccc(Cl)c(Cl)c3)cc2o1.
What is the InChIKey of 6-[2-(3,4-dichlorophenyl)-1-hydroxyethyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is UPLITSWXEYTJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-10-3-1-8(5-11(10)17)6-13(19)9-2-4-12-14(7-9)21-15(20)18-12/h1-5,7,13,19H,6H2,(H,18,20).
What are the key properties of 6-[2-(3,4-dichlorophenyl)-1-hydroxyethyl]-3H-1,3-benzoxazol-2-one?
6-[2-(3,4-dichlorophenyl)-1-hydroxyethyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 324.16 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-dichlorophenyl)-1-hydroxyethyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 63047192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).