4-bromo-3-chloro-2-methylphenol;ethane

C9H12BrClO — CID 162438700

IUPAC4-bromo-3-chloro-2-methylphenol;ethane
SMILESCC.Cc1c(O)ccc(Br)c1Cl
InChIInChI=1S/C7H6BrClO.C2H6/c1-4-6(10)3-2-5(8)7(4)9;1-2/h2-3,10H,1H3;1-2H3
InChIKeyVJLYVRKFUSCCNX-UHFFFAOYSA-N
MW251.55 g/mol
LogP4.14
Rot. Bonds

About 4-bromo-3-chloro-2-methylphenol;ethane

4-bromo-3-chloro-2-methylphenol;ethane (PubChem CID 162438700) has the molecular formula C9H12BrClO and a molecular weight of 251.55 g/mol. Its IUPAC name is 4-bromo-3-chloro-2-methylphenol;ethane.

Molecular Properties

Compound Name4-bromo-3-chloro-2-methylphenol;ethane
PubChem CID162438700
Molecular FormulaC9H12BrClO
Molecular Weight251.55 g/mol
Exact Mass249.98
IUPAC Name4-bromo-3-chloro-2-methylphenol;ethane
SMILESCC.Cc1c(O)ccc(Br)c1Cl
InChIInChI=1S/C7H6BrClO.C2H6/c1-4-6(10)3-2-5(8)7(4)9;1-2/h2-3,10H,1H3;1-2H3
InChIKeyVJLYVRKFUSCCNX-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dibromo-2-chloro-3-methylbenzene
CID 44891208
4-bromo-2-methylbenzene-1,3-diol
CID 15004925
1-bromo-2-chloro-4-fluoro-3-methylbenzene
CID 2736227
4-bromo-3-chloro-2-methylsulfanylphenol
CID 131361264
4-bromo-3-(hydroxymethyl)-2-methylphenol
CID 66643800
4-bromo-3-chloro-2-(3-hydroxypropyl)phenol
CID 172819441
N-(2-chloro-4-hydroxy-3-methylphenyl)acetamide;ethane
CID 143730385
4-bromo-3-chloro-2-methylbenzenesulfonyl chloride
CID 50998046
4-bromo-3-chloro-2-(phosphanylmethyl)phenol
CID 156723445
(4-bromo-2-chloro-3-methylphenyl)methanediol
CID 170134211
2,3-dimethylbenzene-1,4-diol;hydrate
CID 172699169
4-bromo-2-chloro-3-(hydroxymethyl)phenol
CID 66643855

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-2-methylphenol;ethane?
The IUPAC name of 4-bromo-3-chloro-2-methylphenol;ethane (CID 162438700) is 4-bromo-3-chloro-2-methylphenol;ethane.
What is the SMILES notation for 4-bromo-3-chloro-2-methylphenol;ethane?
The canonical SMILES for 4-bromo-3-chloro-2-methylphenol;ethane is CC.Cc1c(O)ccc(Br)c1Cl.
What is the InChIKey of 4-bromo-3-chloro-2-methylphenol;ethane?
The InChIKey is VJLYVRKFUSCCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO.C2H6/c1-4-6(10)3-2-5(8)7(4)9;1-2/h2-3,10H,1H3;1-2H3.
What are the key properties of 4-bromo-3-chloro-2-methylphenol;ethane?
4-bromo-3-chloro-2-methylphenol;ethane has a molecular weight of 251.55 g/mol, XLogP of 4.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-2-methylphenol;ethane is sourced from PubChem (CID 162438700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).