phenol;propyl carbamate

C10H15NO3 — CID 174701394

IUPACphenol;propyl carbamate
SMILESCCCOC(N)=O.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H9NO2/c7-6-4-2-1-3-5-6;1-2-3-7-4(5)6/h1-5,7H;2-3H2,1H3,(H2,5,6)
InChIKeyMTOYFRWAZDSOOO-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.88
Rot. Bonds2

About phenol;propyl carbamate

phenol;propyl carbamate (PubChem CID 174701394) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is phenol;propyl carbamate.

Molecular Properties

Compound Namephenol;propyl carbamate
PubChem CID174701394
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namephenol;propyl carbamate
SMILESCCCOC(N)=O.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H9NO2/c7-6-4-2-1-3-5-6;1-2-3-7-4(5)6/h1-5,7H;2-3H2,1H3,(H2,5,6)
InChIKeyMTOYFRWAZDSOOO-UHFFFAOYSA-N
XLogP1.88
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propyl carbamate;dihydrochloride
CID 87576214
phenol;propane;1-propoxypropane
CID 162084226
benzene-1,2-diol;propyl 4-hydroxybenzoate
CID 70157897
4-phenylphenol;propyl 4-hydroxybenzoate
CID 174901062
oxamide;phenol
CID 21277500
(4-nitrophenyl)-phenylmethanone;propyl carbamate
CID 174494585
benzene;phenol;propane
CID 157176896
propyl 4-hydroxybenzoate
CID 66683808
benzene-1,4-diol;ethyl carbamate;methoxymethane
CID 174872836
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
triphenyl(propoxycarbonyl)phosphanium
CID 155678624
methanol;phenol;propane
CID 91268562

Frequently Asked Questions

What is the IUPAC name of phenol;propyl carbamate?
The IUPAC name of phenol;propyl carbamate (CID 174701394) is phenol;propyl carbamate.
What is the SMILES notation for phenol;propyl carbamate?
The canonical SMILES for phenol;propyl carbamate is CCCOC(N)=O.Oc1ccccc1.
What is the InChIKey of phenol;propyl carbamate?
The InChIKey is MTOYFRWAZDSOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C4H9NO2/c7-6-4-2-1-3-5-6;1-2-3-7-4(5)6/h1-5,7H;2-3H2,1H3,(H2,5,6).
What are the key properties of phenol;propyl carbamate?
phenol;propyl carbamate has a molecular weight of 197.23 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;propyl carbamate is sourced from PubChem (CID 174701394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).