(4-propan-2-ylphenyl) carbamate

C10H13NO2 — CID 57008477

IUPAC(4-propan-2-ylphenyl) carbamate
SMILESCC(C)c1ccc(OC(N)=O)cc1
InChIInChI=1S/C10H13NO2/c1-7(2)8-3-5-9(6-4-8)13-10(11)12/h3-7H,1-2H3,(H2,11,12)
InChIKeyUHISYYJKTIQLJE-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.27
Rot. Bonds2

About (4-propan-2-ylphenyl) carbamate

(4-propan-2-ylphenyl) carbamate (PubChem CID 57008477) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (4-propan-2-ylphenyl) carbamate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl) carbamate
PubChem CID57008477
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(4-propan-2-ylphenyl) carbamate
SMILESCC(C)c1ccc(OC(N)=O)cc1
InChIInChI=1S/C10H13NO2/c1-7(2)8-3-5-9(6-4-8)13-10(11)12/h3-7H,1-2H3,(H2,11,12)
InChIKeyUHISYYJKTIQLJE-UHFFFAOYSA-N
XLogP2.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-propan-2-ylphenyl) 2-methylpropanoate
CID 122674718
(4-propan-2-ylphenyl) (Z)-4-amino-4-oxobut-2-enoate
CID 67832284
[4-(dimethoxymethyl)phenyl] carbamate
CID 174943505
[4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate
CID 89484565
4-(4-propan-2-ylphenoxy)benzamide
CID 142414866
[4-[(2R)-2-aminopropyl]phenyl] carbamate
CID 66608683
[4-(2-aminopropyl)phenyl] carbamate
CID 57045083
[4-(2-iodopropanoyloxy)phenyl]-bis(4-propan-2-ylphenyl)sulfanium
CID 156684285
(4-methylphenyl) 4-propan-2-ylbenzoate
CID 1406523
(2-fluoro-5-propan-2-ylphenyl) carbamate
CID 175535945
bis(4-propan-2-ylphenyl) benzene-1,3-dicarboxylate
CID 91739884
(4-acetylphenyl) carbamate;ethane
CID 163253714

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl) carbamate?
The IUPAC name of (4-propan-2-ylphenyl) carbamate (CID 57008477) is (4-propan-2-ylphenyl) carbamate.
What is the SMILES notation for (4-propan-2-ylphenyl) carbamate?
The canonical SMILES for (4-propan-2-ylphenyl) carbamate is CC(C)c1ccc(OC(N)=O)cc1.
What is the InChIKey of (4-propan-2-ylphenyl) carbamate?
The InChIKey is UHISYYJKTIQLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(2)8-3-5-9(6-4-8)13-10(11)12/h3-7H,1-2H3,(H2,11,12).
What are the key properties of (4-propan-2-ylphenyl) carbamate?
(4-propan-2-ylphenyl) carbamate has a molecular weight of 179.22 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl) carbamate is sourced from PubChem (CID 57008477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).