2-[4-(acetyloxymethyl)phenoxy]ethylcarbamic acid

C12H15NO5 — CID 56998010

IUPAC2-[4-(acetyloxymethyl)phenoxy]ethylcarbamic acid
SMILESCC(=O)OCc1ccc(OCCNC(=O)O)cc1
InChIInChI=1S/C12H15NO5/c1-9(14)18-8-10-2-4-11(5-3-10)17-7-6-13-12(15)16/h2-5,13H,6-8H2,1H3,(H,15,16)
InChIKeyJXLJAAQBYLKQFC-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.40
Rot. Bonds6

About 2-[4-(acetyloxymethyl)phenoxy]ethylcarbamic acid

2-[4-(acetyloxymethyl)phenoxy]ethylcarbamic acid (PubChem CID 56998010) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-[4-(acetyloxymethyl)phenoxy]ethylcarbamic acid.

Molecular Properties

Compound Name2-[4-(acetyloxymethyl)phenoxy]ethylcarbamic acid
PubChem CID56998010
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-[4-(acetyloxymethyl)phenoxy]ethylcarbamic acid
SMILESCC(=O)OCc1ccc(OCCNC(=O)O)cc1
InChIInChI=1S/C12H15NO5/c1-9(14)18-8-10-2-4-11(5-3-10)17-7-6-13-12(15)16/h2-5,13H,6-8H2,1H3,(H,15,16)
InChIKeyJXLJAAQBYLKQFC-UHFFFAOYSA-N
XLogP1.40
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-propoxyphenyl)methyl acetate
CID 150263336
2-(4-acetylphenoxy)ethylcarbamic acid
CID 69331429
2-(4-carbamoylphenoxy)ethylcarbamic acid
CID 18523671
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978
N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide
CID 70467709
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methoxy]phenyl]methyl acetate
CID 123402714
[4-(1-hydroxyethenoxy)phenyl]methyl acetate
CID 59935011
benzyl N-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]ethyl]carbamate
CID 156874082
2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylcarbamic acid
CID 135240470
benzyl acetate
CID 8785
(2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide
CID 131720927

Frequently Asked Questions

What is the IUPAC name of 2-[4-(acetyloxymethyl)phenoxy]ethylcarbamic acid?
The IUPAC name of 2-[4-(acetyloxymethyl)phenoxy]ethylcarbamic acid (CID 56998010) is 2-[4-(acetyloxymethyl)phenoxy]ethylcarbamic acid.
What is the SMILES notation for 2-[4-(acetyloxymethyl)phenoxy]ethylcarbamic acid?
The canonical SMILES for 2-[4-(acetyloxymethyl)phenoxy]ethylcarbamic acid is CC(=O)OCc1ccc(OCCNC(=O)O)cc1.
What is the InChIKey of 2-[4-(acetyloxymethyl)phenoxy]ethylcarbamic acid?
The InChIKey is JXLJAAQBYLKQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-9(14)18-8-10-2-4-11(5-3-10)17-7-6-13-12(15)16/h2-5,13H,6-8H2,1H3,(H,15,16).
What are the key properties of 2-[4-(acetyloxymethyl)phenoxy]ethylcarbamic acid?
2-[4-(acetyloxymethyl)phenoxy]ethylcarbamic acid has a molecular weight of 253.25 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(acetyloxymethyl)phenoxy]ethylcarbamic acid is sourced from PubChem (CID 56998010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).