(2,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol

C15H12Cl2O3 — CID 61272354

IUPAC(2,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
SMILESOC(c1ccc(Cl)cc1Cl)C1COc2ccccc2O1
InChIInChI=1S/C15H12Cl2O3/c16-9-5-6-10(11(17)7-9)15(18)14-8-19-12-3-1-2-4-13(12)20-14/h1-7,14-15,18H,8H2
InChIKeyIJNTYHOLKZKKKR-UHFFFAOYSA-N
MW311.16 g/mol
LogP3.87
Rot. Bonds2

About (2,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol

(2,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol (PubChem CID 61272354) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
PubChem CID61272354
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name(2,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
SMILESOC(c1ccc(Cl)cc1Cl)C1COc2ccccc2O1
InChIInChI=1S/C15H12Cl2O3/c16-9-5-6-10(11(17)7-9)15(18)14-8-19-12-3-1-2-4-13(12)20-14/h1-7,14-15,18H,8H2
InChIKeyIJNTYHOLKZKKKR-UHFFFAOYSA-N
XLogP3.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
The IUPAC name of (2,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol (CID 61272354) is (2,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol.
What is the SMILES notation for (2,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
The canonical SMILES for (2,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol is OC(c1ccc(Cl)cc1Cl)C1COc2ccccc2O1.
What is the InChIKey of (2,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
The InChIKey is IJNTYHOLKZKKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c16-9-5-6-10(11(17)7-9)15(18)14-8-19-12-3-1-2-4-13(12)20-14/h1-7,14-15,18H,8H2.
What are the key properties of (2,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
(2,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol has a molecular weight of 311.16 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol is sourced from PubChem (CID 61272354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).