[3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid

C11H15NO3 — CID 67275396

IUPAC[3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid
SMILESCC(C)(C)Oc1cccc(NC(=O)O)c1
InChIInChI=1S/C11H15NO3/c1-11(2,3)15-9-6-4-5-8(7-9)12-10(13)14/h4-7,12H,1-3H3,(H,13,14)
InChIKeyCNZPKAHJVPNOQQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.95
Rot. Bonds2

About [3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid

[3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid (PubChem CID 67275396) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is [3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid.

Molecular Properties

Compound Name[3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid
PubChem CID67275396
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name[3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid
SMILESCC(C)(C)Oc1cccc(NC(=O)O)c1
InChIInChI=1S/C11H15NO3/c1-11(2,3)15-9-6-4-5-8(7-9)12-10(13)14/h4-7,12H,1-3H3,(H,13,14)
InChIKeyCNZPKAHJVPNOQQ-UHFFFAOYSA-N
XLogP2.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid
CID 139764509
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
[3-(4-bromophenoxy)phenyl]carbamic acid
CID 138629295
[3-(methylamino)phenyl]carbamic acid
CID 66771222
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778
3-acetamido-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]benzamide
CID 110792701
2-hydroxy-N-(3-methoxyphenyl)-2,2-diphenylacetamide
CID 828005
[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
CID 18416506
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
2-methyl-2-(methylamino)-N-(3-phenoxyphenyl)propanamide
CID 62845831

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid?
The IUPAC name of [3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid (CID 67275396) is [3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid.
What is the SMILES notation for [3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid?
The canonical SMILES for [3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid is CC(C)(C)Oc1cccc(NC(=O)O)c1.
What is the InChIKey of [3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid?
The InChIKey is CNZPKAHJVPNOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(2,3)15-9-6-4-5-8(7-9)12-10(13)14/h4-7,12H,1-3H3,(H,13,14).
What are the key properties of [3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid?
[3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid has a molecular weight of 209.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid is sourced from PubChem (CID 67275396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).