2-(2,2-dibromoethenyl)phenol;ethane

C10H12Br2O — CID 143581922

IUPAC2-(2,2-dibromoethenyl)phenol;ethane
SMILESCC.Oc1ccccc1C=C(Br)Br
InChIInChI=1S/C8H6Br2O.C2H6/c9-8(10)5-6-3-1-2-4-7(6)11;1-2/h1-5,11H;1-2H3
InChIKeyGGHVHLAHZQPSRO-UHFFFAOYSA-N
MW308.01 g/mol
LogP4.51
Rot. Bonds1

About 2-(2,2-dibromoethenyl)phenol;ethane

2-(2,2-dibromoethenyl)phenol;ethane (PubChem CID 143581922) has the molecular formula C10H12Br2O and a molecular weight of 308.01 g/mol. Its IUPAC name is 2-(2,2-dibromoethenyl)phenol;ethane.

Molecular Properties

Compound Name2-(2,2-dibromoethenyl)phenol;ethane
PubChem CID143581922
Molecular FormulaC10H12Br2O
Molecular Weight308.01 g/mol
Exact Mass305.93
IUPAC Name2-(2,2-dibromoethenyl)phenol;ethane
SMILESCC.Oc1ccccc1C=C(Br)Br
InChIInChI=1S/C8H6Br2O.C2H6/c9-8(10)5-6-3-1-2-4-7(6)11;1-2/h1-5,11H;1-2H3
InChIKeyGGHVHLAHZQPSRO-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.01
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2,2-dibromoethenyl)phenol;ethane 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

1-(2,2-dibromoethenyl)-2-fluorobenzene
CID 643344
2-(2,2-dibromoethenyl)benzamide
CID 10470333
ethane;2-(methyliminomethyl)phenol
CID 136650397
1-(2,2-dibromoethenyl)naphthalene
CID 12642645
2-[(Z)-2-phenylbut-1-enyl]phenol
CID 11031503
2-[3-(diaminomethyl)-4-(2-hydroxyphenyl)-2-methylbuta-1,3-dienyl]phenol
CID 140545787
carbanide;ethane;bis((2-hydroxyphenyl)methylideneazanide);bis(yttrium)
CID 158069887
CID 155704691
CID 155704691
2-[(Z)-2-chloro-3-hydroxypent-1-enyl]phenol
CID 14869652
2-[(E)-2-(2-hydroxyphenyl)but-1-enyl]phenol
CID 67778845
2-[(2-hydroxyphenyl)methylidene]propanedinitrile
CID 23409
2,2-dibromo(113C)ethenylbenzene
CID 131856077

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dibromoethenyl)phenol;ethane?
The IUPAC name of 2-(2,2-dibromoethenyl)phenol;ethane (CID 143581922) is 2-(2,2-dibromoethenyl)phenol;ethane.
What is the SMILES notation for 2-(2,2-dibromoethenyl)phenol;ethane?
The canonical SMILES for 2-(2,2-dibromoethenyl)phenol;ethane is CC.Oc1ccccc1C=C(Br)Br.
What is the InChIKey of 2-(2,2-dibromoethenyl)phenol;ethane?
The InChIKey is GGHVHLAHZQPSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O.C2H6/c9-8(10)5-6-3-1-2-4-7(6)11;1-2/h1-5,11H;1-2H3.
What are the key properties of 2-(2,2-dibromoethenyl)phenol;ethane?
2-(2,2-dibromoethenyl)phenol;ethane has a molecular weight of 308.01 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dibromoethenyl)phenol;ethane is sourced from PubChem (CID 143581922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).