(7-bromo-1,3-benzodioxol-5-yl)-(3,5-difluorophenyl)methanol

C14H9BrF2O3 — CID 63894043

IUPAC(7-bromo-1,3-benzodioxol-5-yl)-(3,5-difluorophenyl)methanol
SMILESOC(c1cc(F)cc(F)c1)c1cc(Br)c2c(c1)OCO2
InChIInChI=1S/C14H9BrF2O3/c15-11-3-8(4-12-14(11)20-6-19-12)13(18)7-1-9(16)5-10(17)2-7/h1-5,13,18H,6H2
InChIKeyWQLGQLAYTUWLEQ-UHFFFAOYSA-N
MW343.12 g/mol
LogP3.54
Rot. Bonds2

About (7-bromo-1,3-benzodioxol-5-yl)-(3,5-difluorophenyl)methanol

(7-bromo-1,3-benzodioxol-5-yl)-(3,5-difluorophenyl)methanol (PubChem CID 63894043) has the molecular formula C14H9BrF2O3 and a molecular weight of 343.12 g/mol. Its IUPAC name is (7-bromo-1,3-benzodioxol-5-yl)-(3,5-difluorophenyl)methanol.

Molecular Properties

Compound Name(7-bromo-1,3-benzodioxol-5-yl)-(3,5-difluorophenyl)methanol
PubChem CID63894043
Molecular FormulaC14H9BrF2O3
Molecular Weight343.12 g/mol
Exact Mass341.97
IUPAC Name(7-bromo-1,3-benzodioxol-5-yl)-(3,5-difluorophenyl)methanol
SMILESOC(c1cc(F)cc(F)c1)c1cc(Br)c2c(c1)OCO2
InChIInChI=1S/C14H9BrF2O3/c15-11-3-8(4-12-14(11)20-6-19-12)13(18)7-1-9(16)5-10(17)2-7/h1-5,13,18H,6H2
InChIKeyWQLGQLAYTUWLEQ-UHFFFAOYSA-N
XLogP3.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.12
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-bromo-1,3-benzodioxol-5-yl)-(5-bromo-2-fluorophenyl)methanol
CID 79742900
(7-bromo-1,3-benzodioxol-5-yl)-(2,6-difluoro-3-methylphenyl)methanol
CID 82802781
(7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol
CID 81437182
3-(7-bromo-1,3-benzodioxol-5-yl)-2-fluoro-3-hydroxypropanoic acid
CID 79366804
1-benzofuran-2-yl-(7-bromo-1,3-benzodioxol-5-yl)methanol
CID 114723309
(7-bromo-1,3-benzodioxol-5-yl)-cyclohexylmethanol
CID 63896143
2-amino-1-(7-bromo-1,3-benzodioxol-5-yl)butan-1-ol
CID 43566109
(7-bromo-1,3-benzodioxol-5-yl)-(4-methylcyclohexyl)methanol
CID 64749374
1-(7-bromo-1,3-benzodioxol-5-yl)hex-4-yn-1-ol
CID 104809376
1-(7-bromo-1,3-benzodioxol-5-yl)-3-methylhexan-1-ol
CID 65150718
3-amino-3-(7-bromo-1,3-benzodioxol-5-yl)propanoic acid
CID 43143806
(3S)-3-amino-3-(7-bromo-1,3-benzodioxol-5-yl)propanoic acid
CID 61149784

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1,3-benzodioxol-5-yl)-(3,5-difluorophenyl)methanol?
The IUPAC name of (7-bromo-1,3-benzodioxol-5-yl)-(3,5-difluorophenyl)methanol (CID 63894043) is (7-bromo-1,3-benzodioxol-5-yl)-(3,5-difluorophenyl)methanol.
What is the SMILES notation for (7-bromo-1,3-benzodioxol-5-yl)-(3,5-difluorophenyl)methanol?
The canonical SMILES for (7-bromo-1,3-benzodioxol-5-yl)-(3,5-difluorophenyl)methanol is OC(c1cc(F)cc(F)c1)c1cc(Br)c2c(c1)OCO2.
What is the InChIKey of (7-bromo-1,3-benzodioxol-5-yl)-(3,5-difluorophenyl)methanol?
The InChIKey is WQLGQLAYTUWLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O3/c15-11-3-8(4-12-14(11)20-6-19-12)13(18)7-1-9(16)5-10(17)2-7/h1-5,13,18H,6H2.
What are the key properties of (7-bromo-1,3-benzodioxol-5-yl)-(3,5-difluorophenyl)methanol?
(7-bromo-1,3-benzodioxol-5-yl)-(3,5-difluorophenyl)methanol has a molecular weight of 343.12 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1,3-benzodioxol-5-yl)-(3,5-difluorophenyl)methanol is sourced from PubChem (CID 63894043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).