1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methanol

C14H10Cl2O3 — CID 61082396

IUPAC1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methanol
SMILESOC(c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H10Cl2O3/c15-10-3-1-8(5-11(10)16)14(17)9-2-4-12-13(6-9)19-7-18-12/h1-6,14,17H,7H2
InChIKeyBNHDFFDXQKBADT-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.80
Rot. Bonds2

About 1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methanol

1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methanol (PubChem CID 61082396) has the molecular formula C14H10Cl2O3 and a molecular weight of 297.14 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methanol.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methanol
PubChem CID61082396
Molecular FormulaC14H10Cl2O3
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Name1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methanol
SMILESOC(c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H10Cl2O3/c15-10-3-1-8(5-11(10)16)14(17)9-2-4-12-13(6-9)19-7-18-12/h1-6,14,17H,7H2
InChIKeyBNHDFFDXQKBADT-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

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Related Compounds

1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methanol
CID 61082005
(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
CID 11185720
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
(3-bromo-4-chlorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 115566324
1,3-benzodioxol-5-yl(trimethylsilyl)methanol
CID 12705761
1,3-benzodioxol-5-yl(bromo)methanol
CID 141431420
(1S)-1-(1,3-benzodioxol-5-yl)prop-2-en-1-ol
CID 11651236
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
(1R)-1-(1,3-benzodioxol-5-yl)-2-chloroethanol
CID 93182688
1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol
CID 114518527
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
1,3-benzodioxol-5-yl(dimethylamino)methanol
CID 116909534

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methanol?
The IUPAC name of 1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methanol (CID 61082396) is 1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methanol.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methanol?
The canonical SMILES for 1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methanol is OC(c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methanol?
The InChIKey is BNHDFFDXQKBADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O3/c15-10-3-1-8(5-11(10)16)14(17)9-2-4-12-13(6-9)19-7-18-12/h1-6,14,17H,7H2.
What are the key properties of 1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methanol?
1,3-benzodioxol-5-yl-(3,4-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-(3,4-dichlorophenyl)methanol is sourced from PubChem (CID 61082396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).