[4-bromo-3-(2-hydroxypropan-2-yl)phenyl] carbamate

C10H12BrNO3 — CID 175021652

IUPAC[4-bromo-3-(2-hydroxypropan-2-yl)phenyl] carbamate
SMILESCC(C)(O)c1cc(OC(N)=O)ccc1Br
InChIInChI=1S/C10H12BrNO3/c1-10(2,14)7-5-6(15-9(12)13)3-4-8(7)11/h3-5,14H,1-2H3,(H2,12,13)
InChIKeyHUWWDZCOIXMGBP-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.13
Rot. Bonds2

About [4-bromo-3-(2-hydroxypropan-2-yl)phenyl] carbamate

[4-bromo-3-(2-hydroxypropan-2-yl)phenyl] carbamate (PubChem CID 175021652) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is [4-bromo-3-(2-hydroxypropan-2-yl)phenyl] carbamate.

Molecular Properties

Compound Name[4-bromo-3-(2-hydroxypropan-2-yl)phenyl] carbamate
PubChem CID175021652
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name[4-bromo-3-(2-hydroxypropan-2-yl)phenyl] carbamate
SMILESCC(C)(O)c1cc(OC(N)=O)ccc1Br
InChIInChI=1S/C10H12BrNO3/c1-10(2,14)7-5-6(15-9(12)13)3-4-8(7)11/h3-5,14H,1-2H3,(H2,12,13)
InChIKeyHUWWDZCOIXMGBP-UHFFFAOYSA-N
XLogP2.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-bromo-3-methylphenoxy)propanamide
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(3-chloro-4-methylphenyl) carbamate
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[2-(2-hydroxy-2-methylpropoxy)-4-pyridinyl] carbamate
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(4-ethyl-3-methylphenyl) carbamate
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CID 72942483
2-(2-bromo-5-methoxyphenyl)-2-methylpropan-1-amine
CID 18697503
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CID 118797027
(6-tert-butyl-3-pyridinyl) carbamate
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Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-(2-hydroxypropan-2-yl)phenyl] carbamate?
The IUPAC name of [4-bromo-3-(2-hydroxypropan-2-yl)phenyl] carbamate (CID 175021652) is [4-bromo-3-(2-hydroxypropan-2-yl)phenyl] carbamate.
What is the SMILES notation for [4-bromo-3-(2-hydroxypropan-2-yl)phenyl] carbamate?
The canonical SMILES for [4-bromo-3-(2-hydroxypropan-2-yl)phenyl] carbamate is CC(C)(O)c1cc(OC(N)=O)ccc1Br.
What is the InChIKey of [4-bromo-3-(2-hydroxypropan-2-yl)phenyl] carbamate?
The InChIKey is HUWWDZCOIXMGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-10(2,14)7-5-6(15-9(12)13)3-4-8(7)11/h3-5,14H,1-2H3,(H2,12,13).
What are the key properties of [4-bromo-3-(2-hydroxypropan-2-yl)phenyl] carbamate?
[4-bromo-3-(2-hydroxypropan-2-yl)phenyl] carbamate has a molecular weight of 274.11 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-(2-hydroxypropan-2-yl)phenyl] carbamate is sourced from PubChem (CID 175021652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).