(3,5-dibromophenyl)methanol;ethane

C9H12Br2O — CID 144557111

IUPAC(3,5-dibromophenyl)methanol;ethane
SMILESCC.OCc1cc(Br)cc(Br)c1
InChIInChI=1S/C7H6Br2O.C2H6/c8-6-1-5(4-10)2-7(9)3-6;1-2/h1-3,10H,4H2;1-2H3
InChIKeyVDTDOMRXXQYIPB-UHFFFAOYSA-N
MW296.00 g/mol
LogP3.73
Rot. Bonds1

About (3,5-dibromophenyl)methanol;ethane

(3,5-dibromophenyl)methanol;ethane (PubChem CID 144557111) has the molecular formula C9H12Br2O and a molecular weight of 296.00 g/mol. Its IUPAC name is (3,5-dibromophenyl)methanol;ethane.

Molecular Properties

Compound Name(3,5-dibromophenyl)methanol;ethane
PubChem CID144557111
Molecular FormulaC9H12Br2O
Molecular Weight296.00 g/mol
Exact Mass293.93
IUPAC Name(3,5-dibromophenyl)methanol;ethane
SMILESCC.OCc1cc(Br)cc(Br)c1
InChIInChI=1S/C7H6Br2O.C2H6/c8-6-1-5(4-10)2-7(9)3-6;1-2/h1-3,10H,4H2;1-2H3
InChIKeyVDTDOMRXXQYIPB-UHFFFAOYSA-N
XLogP3.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.00
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[(3,5-dibromophenyl)methyl-methylamino]ethanol
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CID 134615536
(3-bromobenzene-5-id-1-yl)methanol;cobalt
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[3-bromo-5-[[(1R)-2,2-difluorocyclopropyl]methylamino]phenyl]methanol
CID 125467003
[3-[1-[3,5-bis(hydroxymethyl)phenyl]ethyl]-5-(hydroxymethyl)phenyl]methanol;ethane
CID 142281106
(4-amino-3-bromo-5-methylphenyl)methanol
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[3-bromo-5-(cyclopentylmethoxy)phenyl]methanol
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1-bromo-3-ethyl-5-methylbenzene;ethane
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CID 163225247

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)methanol;ethane?
The IUPAC name of (3,5-dibromophenyl)methanol;ethane (CID 144557111) is (3,5-dibromophenyl)methanol;ethane.
What is the SMILES notation for (3,5-dibromophenyl)methanol;ethane?
The canonical SMILES for (3,5-dibromophenyl)methanol;ethane is CC.OCc1cc(Br)cc(Br)c1.
What is the InChIKey of (3,5-dibromophenyl)methanol;ethane?
The InChIKey is VDTDOMRXXQYIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2O.C2H6/c8-6-1-5(4-10)2-7(9)3-6;1-2/h1-3,10H,4H2;1-2H3.
What are the key properties of (3,5-dibromophenyl)methanol;ethane?
(3,5-dibromophenyl)methanol;ethane has a molecular weight of 296.00 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)methanol;ethane is sourced from PubChem (CID 144557111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).