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

C14H10Cl2O3 — CID 61082005

IUPAC1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methanol
SMILESOC(c1ccc2c(c1)OCO2)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2O3/c15-9-2-3-11(16)10(6-9)14(17)8-1-4-12-13(5-8)19-7-18-12/h1-6,14,17H,7H2
InChIKeyQPGXTTGRQQVEIY-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.80
Rot. Bonds2

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

1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methanol (PubChem CID 61082005) has the molecular formula C14H10Cl2O3 and a molecular weight of 297.14 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methanol.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methanol
PubChem CID61082005
Molecular FormulaC14H10Cl2O3
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Name1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methanol
SMILESOC(c1ccc2c(c1)OCO2)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2O3/c15-9-2-3-11(16)10(6-9)14(17)8-1-4-12-13(5-8)19-7-18-12/h1-6,14,17H,7H2
InChIKeyQPGXTTGRQQVEIY-UHFFFAOYSA-N
XLogP3.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methanol
CID 61082396
(2,5-dichlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294050
N-[1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492997
6-[chloro-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63433969
(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
CID 11185720
1,3-benzodioxol-5-yl-(5-fluoro-2-methylphenyl)methanol
CID 63895819
(2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61101642
1-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481461
1,3-benzodioxol-5-yl-(4-bromothiophen-3-yl)methanol
CID 79595048
1,3-benzodioxol-5-yl-(2-methylthiophen-3-yl)methanol
CID 102829165
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-chloro-4-fluorophenyl)methanol
CID 82876026
1-(1,3-benzodioxol-5-yl)-3-chloropropane-1,2-diol
CID 171862183

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methanol?
The IUPAC name of 1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methanol (CID 61082005) is 1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methanol.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methanol?
The canonical SMILES for 1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methanol is OC(c1ccc2c(c1)OCO2)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methanol?
The InChIKey is QPGXTTGRQQVEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O3/c15-9-2-3-11(16)10(6-9)14(17)8-1-4-12-13(5-8)19-7-18-12/h1-6,14,17H,7H2.
What are the key properties of 1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methanol?
1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methanol has a molecular weight of 297.14 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methanol is sourced from PubChem (CID 61082005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).