(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylphenyl)methanol

C16H15BrO3 — CID 63900331

IUPAC(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2cc(Br)c3c(c2)OCCO3)c1
InChIInChI=1S/C16H15BrO3/c1-10-3-2-4-11(7-10)15(18)12-8-13(17)16-14(9-12)19-5-6-20-16/h2-4,7-9,15,18H,5-6H2,1H3
InChIKeyHQROPRXSGAWOJJ-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.61
Rot. Bonds2

About (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylphenyl)methanol

(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylphenyl)methanol (PubChem CID 63900331) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylphenyl)methanol
PubChem CID63900331
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2cc(Br)c3c(c2)OCCO3)c1
InChIInChI=1S/C16H15BrO3/c1-10-3-2-4-11(7-10)15(18)12-8-13(17)16-14(9-12)19-5-6-20-16/h2-4,7-9,15,18H,5-6H2,1H3
InChIKeyHQROPRXSGAWOJJ-UHFFFAOYSA-N
XLogP3.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylphenyl)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

(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methyl-3-pyridinyl)methanol
CID 115373693
(3-bromo-4-methylphenyl)-(3-methylphenyl)methanol
CID 114978122
2,3-dihydro-1-benzofuran-5-yl-(3-methylphenyl)methanol
CID 61100251
6-bromo-7-[chloro-(3-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63433335
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(cyclohexen-1-yl)methanol
CID 106651073
(3-bromo-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 81475614
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-bromophenyl)ethanol
CID 63900962
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-[(1E)-cycloocten-1-yl]methanol
CID 106651072
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethane-1,2-diol
CID 82713152
2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetonitrile
CID 43436579
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-pyrazin-2-ylmethanol
CID 63970261
(4-bromo-3-fluorophenyl)-(3-methylphenyl)methanol
CID 81437315

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylphenyl)methanol?
The IUPAC name of (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylphenyl)methanol (CID 63900331) is (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylphenyl)methanol.
What is the SMILES notation for (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylphenyl)methanol?
The canonical SMILES for (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylphenyl)methanol is Cc1cccc(C(O)c2cc(Br)c3c(c2)OCCO3)c1.
What is the InChIKey of (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylphenyl)methanol?
The InChIKey is HQROPRXSGAWOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-10-3-2-4-11(7-10)15(18)12-8-13(17)16-14(9-12)19-5-6-20-16/h2-4,7-9,15,18H,5-6H2,1H3.
What are the key properties of (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylphenyl)methanol?
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylphenyl)methanol has a molecular weight of 335.20 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylphenyl)methanol is sourced from PubChem (CID 63900331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).