[1-(3-bromo-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid

C11H14BrNO3 — CID 57075228

IUPAC[1-(3-bromo-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(Cc1ccc(O)c(Br)c1)NC(=O)O
InChIInChI=1S/C11H14BrNO3/c1-11(2,13-10(15)16)6-7-3-4-9(14)8(12)5-7/h3-5,13-14H,6H2,1-2H3,(H,15,16)
InChIKeyOIRIWZVOLGEUKN-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.74
Rot. Bonds3

About [1-(3-bromo-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid

[1-(3-bromo-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid (PubChem CID 57075228) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is [1-(3-bromo-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(3-bromo-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid
PubChem CID57075228
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name[1-(3-bromo-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(Cc1ccc(O)c(Br)c1)NC(=O)O
InChIInChI=1S/C11H14BrNO3/c1-11(2,13-10(15)16)6-7-3-4-9(14)8(12)5-7/h3-5,13-14H,6H2,1-2H3,(H,15,16)
InChIKeyOIRIWZVOLGEUKN-UHFFFAOYSA-N
XLogP2.74
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [1-(3-bromo-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid 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-(3-chloro-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid
CID 91405796
tert-butyl N-[2-[(3-bromo-4-hydroxyphenyl)methylamino]-2-methylpropyl]carbamate
CID 107249155
methyl 2-amino-3-(3-bromo-4-hydroxyphenyl)propanoate
CID 86137905
1-(3-bromo-4-hydroxyphenyl)butan-2-one
CID 118284985
2-bromo-4-[(4-methylanilino)methyl]phenol
CID 55025634
2-(3-bromo-4-hydroxyphenyl)acetamide
CID 57224771
methyl 3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoate
CID 71300222
2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100702626
tert-butyl N-[2-[(3-bromo-4-hydroxyphenyl)methylamino]ethyl]carbamate
CID 103778467
(2S)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxypropanamide
CID 10389466
2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 60962378
methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate
CID 63045145

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid?
The IUPAC name of [1-(3-bromo-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid (CID 57075228) is [1-(3-bromo-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-(3-bromo-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-(3-bromo-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid is CC(C)(Cc1ccc(O)c(Br)c1)NC(=O)O.
What is the InChIKey of [1-(3-bromo-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid?
The InChIKey is OIRIWZVOLGEUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-11(2,13-10(15)16)6-7-3-4-9(14)8(12)5-7/h3-5,13-14H,6H2,1-2H3,(H,15,16).
What are the key properties of [1-(3-bromo-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid?
[1-(3-bromo-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid has a molecular weight of 288.14 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid is sourced from PubChem (CID 57075228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).