[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid

C12H15NO5 — CID 121000540

IUPAC[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid
SMILESCC(C)(C)OC(=O)c1cc(NC(=O)O)ccc1O
InChIInChI=1S/C12H15NO5/c1-12(2,3)18-10(15)8-6-7(13-11(16)17)4-5-9(8)14/h4-6,13-14H,1-3H3,(H,16,17)
InChIKeyCIZICOGDNSXEEA-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.44
Rot. Bonds2

About [4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid

[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid (PubChem CID 121000540) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is [4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid
PubChem CID121000540
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid
SMILESCC(C)(C)OC(=O)c1cc(NC(=O)O)ccc1O
InChIInChI=1S/C12H15NO5/c1-12(2,3)18-10(15)8-6-7(13-11(16)17)4-5-9(8)14/h4-6,13-14H,1-3H3,(H,16,17)
InChIKeyCIZICOGDNSXEEA-UHFFFAOYSA-N
XLogP2.44
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 5-[(3-amino-3-oxopropanoyl)amino]-2-hydroxybenzoate
CID 139021061
2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 10377562
tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate
CID 18782933
[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid
CID 139764509
CID 71111006
CID 71111006
tert-butyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate
CID 137357211
tert-butyl 2-hydroxybenzoate;cobalt
CID 70348779
(3-methoxycarbonyl-4-methylphenyl)carbamic acid
CID 175178489
5-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-hydroxybenzoic acid
CID 788752
methyl 2-hydroxy-5-[(4-methylbenzoyl)amino]benzoate
CID 838131
tert-butyl N-[4-hydroxy-3-(2-phenylethylcarbamoyl)phenyl]carbamate
CID 10665956
ditert-butyl 2,5-dimethylbenzene-1,4-dicarboxylate
CID 4229880

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid?
The IUPAC name of [4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid (CID 121000540) is [4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid.
What is the SMILES notation for [4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid?
The canonical SMILES for [4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid is CC(C)(C)OC(=O)c1cc(NC(=O)O)ccc1O.
What is the InChIKey of [4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid?
The InChIKey is CIZICOGDNSXEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-12(2,3)18-10(15)8-6-7(13-11(16)17)4-5-9(8)14/h4-6,13-14H,1-3H3,(H,16,17).
What are the key properties of [4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid?
[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid has a molecular weight of 253.25 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid is sourced from PubChem (CID 121000540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).