2-bromo-4-(2-methylpropyl)phenol;hydrobromide

C10H14Br2O — CID 162312266

IUPAC2-bromo-4-(2-methylpropyl)phenol;hydrobromide
SMILESBr.CC(C)Cc1ccc(O)c(Br)c1
InChIInChI=1S/C10H13BrO.BrH/c1-7(2)5-8-3-4-10(12)9(11)6-8;/h3-4,6-7,12H,5H2,1-2H3;1H
InChIKeyJZUQXZYDCGGNOD-UHFFFAOYSA-N
MW310.03 g/mol
LogP3.93
Rot. Bonds2

About 2-bromo-4-(2-methylpropyl)phenol;hydrobromide

2-bromo-4-(2-methylpropyl)phenol;hydrobromide (PubChem CID 162312266) has the molecular formula C10H14Br2O and a molecular weight of 310.03 g/mol. Its IUPAC name is 2-bromo-4-(2-methylpropyl)phenol;hydrobromide.

Molecular Properties

Compound Name2-bromo-4-(2-methylpropyl)phenol;hydrobromide
PubChem CID162312266
Molecular FormulaC10H14Br2O
Molecular Weight310.03 g/mol
Exact Mass307.94
IUPAC Name2-bromo-4-(2-methylpropyl)phenol;hydrobromide
SMILESBr.CC(C)Cc1ccc(O)c(Br)c1
InChIInChI=1S/C10H13BrO.BrH/c1-7(2)5-8-3-4-10(12)9(11)6-8;/h3-4,6-7,12H,5H2,1-2H3;1H
InChIKeyJZUQXZYDCGGNOD-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.03
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol
CID 82977021
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
methyl 2-amino-3-(3-bromo-4-hydroxyphenyl)propanoate
CID 86137905
4-[2-(aminomethyl)-3-hydroxypropyl]-2-bromophenol
CID 83977179
2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 81351567
2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol
CID 114985567
1-[2-hydroxy-6-(2-methylpropyl)naphthalen-1-yl]-6-(2-methylpropyl)naphthalen-2-ol
CID 86090992
4-(2-methylpropyl)-2-methylsulfinylphenol
CID 56631448
(2S)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxypropanamide
CID 10389466
2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 81353451
2-bromo-4-[2-chloro-2-(3-chloro-4-hydroxyphenyl)ethyl]phenol
CID 70611604
2-bromo-4-[(1-hydroxybutan-2-ylamino)methyl]phenol
CID 60657425

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-methylpropyl)phenol;hydrobromide?
The IUPAC name of 2-bromo-4-(2-methylpropyl)phenol;hydrobromide (CID 162312266) is 2-bromo-4-(2-methylpropyl)phenol;hydrobromide.
What is the SMILES notation for 2-bromo-4-(2-methylpropyl)phenol;hydrobromide?
The canonical SMILES for 2-bromo-4-(2-methylpropyl)phenol;hydrobromide is Br.CC(C)Cc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-(2-methylpropyl)phenol;hydrobromide?
The InChIKey is JZUQXZYDCGGNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO.BrH/c1-7(2)5-8-3-4-10(12)9(11)6-8;/h3-4,6-7,12H,5H2,1-2H3;1H.
What are the key properties of 2-bromo-4-(2-methylpropyl)phenol;hydrobromide?
2-bromo-4-(2-methylpropyl)phenol;hydrobromide has a molecular weight of 310.03 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-methylpropyl)phenol;hydrobromide is sourced from PubChem (CID 162312266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).