2-bromo-4-methoxyphenol;deuterio(fluoro)methane

C8H10BrFO2 — CID 158022757

IUPAC2-bromo-4-methoxyphenol;deuterio(fluoro)methane
SMILESCOc1ccc(O)c(Br)c1.[2H]CF
InChIInChI=1S/C7H7BrO2.CH3F/c1-10-5-2-3-7(9)6(8)4-5;1-2/h2-4,9H,1H3;1H3/i;1D
InChIKeyFGGDTAPZHJSRQW-DIYDOPDJSA-N
MW238.07 g/mol
LogP2.75
Rot. Bonds1

About 2-bromo-4-methoxyphenol;deuterio(fluoro)methane

2-bromo-4-methoxyphenol;deuterio(fluoro)methane (PubChem CID 158022757) has the molecular formula C8H10BrFO2 and a molecular weight of 238.07 g/mol. Its IUPAC name is 2-bromo-4-methoxyphenol;deuterio(fluoro)methane.

Molecular Properties

Compound Name2-bromo-4-methoxyphenol;deuterio(fluoro)methane
PubChem CID158022757
Molecular FormulaC8H10BrFO2
Molecular Weight238.07 g/mol
Exact Mass236.99
IUPAC Name2-bromo-4-methoxyphenol;deuterio(fluoro)methane
SMILESCOc1ccc(O)c(Br)c1.[2H]CF
InChIInChI=1S/C7H7BrO2.CH3F/c1-10-5-2-3-7(9)6(8)4-5;1-2/h2-4,9H,1H3;1H3/i;1D
InChIKeyFGGDTAPZHJSRQW-DIYDOPDJSA-N
XLogP2.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4-methoxyphenol;deuterio(fluoro)methane 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

2-bromo-4-(4-methoxyphenyl)phenol
CID 11492848
2-bromo-4-[(4-methoxyphenyl)diazenyl]phenol
CID 137315131
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
(E)-3-(3-bromo-4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 9067365
2-bromo-N-fluoro-4-methoxyaniline
CID 174521230
2-hydroxysulfanyl-4-methoxyphenol
CID 143396910
2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol
CID 130612678
3-bromo-4-(3-bromo-4-hydroxyphenoxy)phenol
CID 18930859
(2-bromo-5-methoxyphenyl)methyl-trifluoroboranuide
CID 65326541
2,4-dibromophenol;methanol
CID 174690931
2-[1-(4-bromo-2,5-difluoroanilino)ethyl]-4-methoxyphenol
CID 107609953
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxyphenol;deuterio(fluoro)methane?
The IUPAC name of 2-bromo-4-methoxyphenol;deuterio(fluoro)methane (CID 158022757) is 2-bromo-4-methoxyphenol;deuterio(fluoro)methane.
What is the SMILES notation for 2-bromo-4-methoxyphenol;deuterio(fluoro)methane?
The canonical SMILES for 2-bromo-4-methoxyphenol;deuterio(fluoro)methane is COc1ccc(O)c(Br)c1.[2H]CF.
What is the InChIKey of 2-bromo-4-methoxyphenol;deuterio(fluoro)methane?
The InChIKey is FGGDTAPZHJSRQW-DIYDOPDJSA-N. The full InChI is InChI=1S/C7H7BrO2.CH3F/c1-10-5-2-3-7(9)6(8)4-5;1-2/h2-4,9H,1H3;1H3/i;1D.
What are the key properties of 2-bromo-4-methoxyphenol;deuterio(fluoro)methane?
2-bromo-4-methoxyphenol;deuterio(fluoro)methane has a molecular weight of 238.07 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxyphenol;deuterio(fluoro)methane is sourced from PubChem (CID 158022757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).