3,4,5-tribromo-2-chloro-6-methylphenol

C7H4Br3ClO — CID 3019825

IUPAC3,4,5-tribromo-2-chloro-6-methylphenol
SMILESCc1c(O)c(Cl)c(Br)c(Br)c1Br
InChIInChI=1S/C7H4Br3ClO/c1-2-3(8)4(9)5(10)6(11)7(2)12/h12H,1H3
InChIKeyMHOWPSNCMPUDPO-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.64
Rot. Bonds

About 3,4,5-tribromo-2-chloro-6-methylphenol

3,4,5-tribromo-2-chloro-6-methylphenol (PubChem CID 3019825) has the molecular formula C7H4Br3ClO and a molecular weight of 379.27 g/mol. Its IUPAC name is 3,4,5-tribromo-2-chloro-6-methylphenol.

Molecular Properties

Compound Name3,4,5-tribromo-2-chloro-6-methylphenol
PubChem CID3019825
Molecular FormulaC7H4Br3ClO
Molecular Weight379.27 g/mol
Exact Mass375.75
IUPAC Name3,4,5-tribromo-2-chloro-6-methylphenol
SMILESCc1c(O)c(Cl)c(Br)c(Br)c1Br
InChIInChI=1S/C7H4Br3ClO/c1-2-3(8)4(9)5(10)6(11)7(2)12/h12H,1H3
InChIKeyMHOWPSNCMPUDPO-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

CID 129649300
CID 129649300
CID 3019467
CID 3019467

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tribromo-2-chloro-6-methylphenol?
The IUPAC name of 3,4,5-tribromo-2-chloro-6-methylphenol (CID 3019825) is 3,4,5-tribromo-2-chloro-6-methylphenol.
What is the SMILES notation for 3,4,5-tribromo-2-chloro-6-methylphenol?
The canonical SMILES for 3,4,5-tribromo-2-chloro-6-methylphenol is Cc1c(O)c(Cl)c(Br)c(Br)c1Br.
What is the InChIKey of 3,4,5-tribromo-2-chloro-6-methylphenol?
The InChIKey is MHOWPSNCMPUDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br3ClO/c1-2-3(8)4(9)5(10)6(11)7(2)12/h12H,1H3.
What are the key properties of 3,4,5-tribromo-2-chloro-6-methylphenol?
3,4,5-tribromo-2-chloro-6-methylphenol has a molecular weight of 379.27 g/mol, XLogP of 4.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tribromo-2-chloro-6-methylphenol is sourced from PubChem (CID 3019825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).