1-(1,3-benzodioxol-5-yl)-2-(2,3-dichlorophenyl)ethanol

C15H12Cl2O3 — CID 107307427

IUPAC1-(1,3-benzodioxol-5-yl)-2-(2,3-dichlorophenyl)ethanol
SMILESOC(Cc1cccc(Cl)c1Cl)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H12Cl2O3/c16-11-3-1-2-10(15(11)17)6-12(18)9-4-5-13-14(7-9)20-8-19-13/h1-5,7,12,18H,6,8H2
InChIKeyYNKOKXNKXGIYET-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.00
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-2-(2,3-dichlorophenyl)ethanol

1-(1,3-benzodioxol-5-yl)-2-(2,3-dichlorophenyl)ethanol (PubChem CID 107307427) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-(2,3-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-(2,3-dichlorophenyl)ethanol
PubChem CID107307427
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-(2,3-dichlorophenyl)ethanol
SMILESOC(Cc1cccc(Cl)c1Cl)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H12Cl2O3/c16-11-3-1-2-10(15(11)17)6-12(18)9-4-5-13-14(7-9)20-8-19-13/h1-5,7,12,18H,6,8H2
InChIKeyYNKOKXNKXGIYET-UHFFFAOYSA-N
XLogP4.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 107307473
1-(1,3-benzodioxol-5-yl)-2-(2,3-dichloroanilino)ethanol
CID 60901147
(1R)-1-(1,3-benzodioxol-5-yl)-2-chloroethanol
CID 93182688
1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107307685
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylphenyl)ethanol
CID 61088239
1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol
CID 18972190
2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
CID 107312488
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,3-dichloroaniline
CID 43106297
1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methanol
CID 61082396
(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
CID 11185720
2-aminooxy-1-(1,3-benzodioxol-5-yl)ethanol
CID 82112199

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(2,3-dichlorophenyl)ethanol?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(2,3-dichlorophenyl)ethanol (CID 107307427) is 1-(1,3-benzodioxol-5-yl)-2-(2,3-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-(2,3-dichlorophenyl)ethanol?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-(2,3-dichlorophenyl)ethanol is OC(Cc1cccc(Cl)c1Cl)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-(2,3-dichlorophenyl)ethanol?
The InChIKey is YNKOKXNKXGIYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c16-11-3-1-2-10(15(11)17)6-12(18)9-4-5-13-14(7-9)20-8-19-13/h1-5,7,12,18H,6,8H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-(2,3-dichlorophenyl)ethanol?
1-(1,3-benzodioxol-5-yl)-2-(2,3-dichlorophenyl)ethanol has a molecular weight of 311.16 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-(2,3-dichlorophenyl)ethanol is sourced from PubChem (CID 107307427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).