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

C15H11Br2FO3 — CID 61080809

IUPAC(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-bromo-2-fluorophenyl)methanol
SMILESOC(c1cc(Br)ccc1F)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C15H11Br2FO3/c16-8-1-2-12(18)10(5-8)15(19)9-6-13-14(7-11(9)17)21-4-3-20-13/h1-2,5-7,15,19H,3-4H2
InChIKeyMPHBFBOZOTYKQN-UHFFFAOYSA-N
MW418.06 g/mol
LogP4.20
Rot. Bonds2

About (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-bromo-2-fluorophenyl)methanol

(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-bromo-2-fluorophenyl)methanol (PubChem CID 61080809) has the molecular formula C15H11Br2FO3 and a molecular weight of 418.06 g/mol. Its IUPAC name is (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-bromo-2-fluorophenyl)methanol.

Molecular Properties

Compound Name(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-bromo-2-fluorophenyl)methanol
PubChem CID61080809
Molecular FormulaC15H11Br2FO3
Molecular Weight418.06 g/mol
Exact Mass415.91
IUPAC Name(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-bromo-2-fluorophenyl)methanol
SMILESOC(c1cc(Br)ccc1F)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C15H11Br2FO3/c16-8-1-2-12(18)10(5-8)15(19)9-6-13-14(7-11(9)17)21-4-3-20-13/h1-2,5-7,15,19H,3-4H2
InChIKeyMPHBFBOZOTYKQN-UHFFFAOYSA-N
XLogP4.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.06
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 61100918
(5-bromo-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanol
CID 115820779
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-fluorophenyl)methanol
CID 61080805
6-bromo-7-[bromo-(3,4-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63441557
6-[(5-bromo-2-fluorophenyl)-chloromethyl]-2,3-dihydro-1,4-benzodioxine
CID 63433568
(7-bromo-1,3-benzodioxol-5-yl)-(5-bromo-2-fluorophenyl)methanol
CID 79742900
6-bromo-7-[bromo-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63441600
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dibromophenyl)methanamine
CID 107950268
(5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985386
(5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 79590688
6-bromo-7-[bromo-(4-bromo-3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63441639
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2,2-trifluoroethanol
CID 61087651

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-bromo-2-fluorophenyl)methanol?
The IUPAC name of (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-bromo-2-fluorophenyl)methanol (CID 61080809) is (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-bromo-2-fluorophenyl)methanol.
What is the SMILES notation for (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-bromo-2-fluorophenyl)methanol?
The canonical SMILES for (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-bromo-2-fluorophenyl)methanol is OC(c1cc(Br)ccc1F)c1cc2c(cc1Br)OCCO2.
What is the InChIKey of (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-bromo-2-fluorophenyl)methanol?
The InChIKey is MPHBFBOZOTYKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2FO3/c16-8-1-2-12(18)10(5-8)15(19)9-6-13-14(7-11(9)17)21-4-3-20-13/h1-2,5-7,15,19H,3-4H2.
What are the key properties of (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-bromo-2-fluorophenyl)methanol?
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-bromo-2-fluorophenyl)methanol has a molecular weight of 418.06 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-bromo-2-fluorophenyl)methanol is sourced from PubChem (CID 61080809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).