(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanol

C15H12Cl2O3 — CID 63894855

IUPAC(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C15H12Cl2O3/c16-11-3-1-9(2-4-11)14(18)10-7-12(17)15-13(8-10)19-5-6-20-15/h1-4,7-8,14,18H,5-6H2
InChIKeyHGDKQMZULJDJKX-UHFFFAOYSA-N
MW311.16 g/mol
LogP3.85
Rot. Bonds2

About (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanol

(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanol (PubChem CID 63894855) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanol.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanol
PubChem CID63894855
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C15H12Cl2O3/c16-11-3-1-9(2-4-11)14(18)10-7-12(17)15-13(8-10)19-5-6-20-15/h1-4,7-8,14,18H,5-6H2
InChIKeyHGDKQMZULJDJKX-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromofuran-2-yl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
CID 63943588
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(6-methyl-3-pyridinyl)methanol
CID 63893331
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-en-1-ol
CID 65418218
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol
CID 65150991
2-amino-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-ol
CID 113291524
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(5-methylthiophen-3-yl)methanol
CID 65099963
2-chloro-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N,N-dimethylacetamide
CID 62224987
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634496
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
(S)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol
CID 26595568
(R)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol
CID 26595571
1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-methylhexan-1-ol
CID 83158621

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanol?
The IUPAC name of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanol (CID 63894855) is (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanol.
What is the SMILES notation for (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanol?
The canonical SMILES for (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanol is OC(c1ccc(Cl)cc1)c1cc(Cl)c2c(c1)OCCO2.
What is the InChIKey of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanol?
The InChIKey is HGDKQMZULJDJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c16-11-3-1-9(2-4-11)14(18)10-7-12(17)15-13(8-10)19-5-6-20-15/h1-4,7-8,14,18H,5-6H2.
What are the key properties of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanol?
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanol has a molecular weight of 311.16 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanol is sourced from PubChem (CID 63894855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).