2-(4-prop-1-en-2-ylphenoxy)ethyl carbamate

C12H15NO3 — CID 19792877

IUPAC2-(4-prop-1-en-2-ylphenoxy)ethyl carbamate
SMILESC=C(C)c1ccc(OCCOC(N)=O)cc1
InChIInChI=1S/C12H15NO3/c1-9(2)10-3-5-11(6-4-10)15-7-8-16-12(13)14/h3-6H,1,7-8H2,2H3,(H2,13,14)
InChIKeyJWURTLANDXVHPG-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.19
Rot. Bonds5

About 2-(4-prop-1-en-2-ylphenoxy)ethyl carbamate

2-(4-prop-1-en-2-ylphenoxy)ethyl carbamate (PubChem CID 19792877) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(4-prop-1-en-2-ylphenoxy)ethyl carbamate.

Molecular Properties

Compound Name2-(4-prop-1-en-2-ylphenoxy)ethyl carbamate
PubChem CID19792877
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(4-prop-1-en-2-ylphenoxy)ethyl carbamate
SMILESC=C(C)c1ccc(OCCOC(N)=O)cc1
InChIInChI=1S/C12H15NO3/c1-9(2)10-3-5-11(6-4-10)15-7-8-16-12(13)14/h3-6H,1,7-8H2,2H3,(H2,13,14)
InChIKeyJWURTLANDXVHPG-UHFFFAOYSA-N
XLogP2.19
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate
CID 163299706
bis[4-[2-(3-methylbuta-1,3-dien-2-yloxy)ethoxy]phenyl]methanone
CID 121309000
1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene
CID 139799938
2-[4-(4-methylbenzoyl)phenoxy]ethyl acetate
CID 141354412
molecular hydrogen;4-[6-(4-prop-1-en-2-ylphenoxy)hexoxy]benzenecarboximidamide
CID 158279595
2-(4-phenylmethoxyphenoxy)ethyl carbamate
CID 175203951
1-heptoxy-4-[4-(4-prop-1-en-2-ylphenyl)phenyl]benzene
CID 58428325
2-[4-(2-hydroxy-2-phenylacetyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 153322915
2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate
CID 162070646
tert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate
CID 21185662
1-methoxy-4-[2-[1-(4-prop-1-en-2-ylphenoxy)ethoxy]ethoxy]benzene
CID 58185940
3-(4-fluorophenoxy)propyl carbamate
CID 154235028

Frequently Asked Questions

What is the IUPAC name of 2-(4-prop-1-en-2-ylphenoxy)ethyl carbamate?
The IUPAC name of 2-(4-prop-1-en-2-ylphenoxy)ethyl carbamate (CID 19792877) is 2-(4-prop-1-en-2-ylphenoxy)ethyl carbamate.
What is the SMILES notation for 2-(4-prop-1-en-2-ylphenoxy)ethyl carbamate?
The canonical SMILES for 2-(4-prop-1-en-2-ylphenoxy)ethyl carbamate is C=C(C)c1ccc(OCCOC(N)=O)cc1.
What is the InChIKey of 2-(4-prop-1-en-2-ylphenoxy)ethyl carbamate?
The InChIKey is JWURTLANDXVHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(2)10-3-5-11(6-4-10)15-7-8-16-12(13)14/h3-6H,1,7-8H2,2H3,(H2,13,14).
What are the key properties of 2-(4-prop-1-en-2-ylphenoxy)ethyl carbamate?
2-(4-prop-1-en-2-ylphenoxy)ethyl carbamate has a molecular weight of 221.26 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-1-en-2-ylphenoxy)ethyl carbamate is sourced from PubChem (CID 19792877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).