1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea

C12H16N2O3 — CID 115759359

IUPAC1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea
SMILESO=C(NCc1ccccc1O)NC1CCOC1
InChIInChI=1S/C12H16N2O3/c15-11-4-2-1-3-9(11)7-13-12(16)14-10-5-6-17-8-10/h1-4,10,15H,5-8H2,(H2,13,14,16)
InChIKeyARTIQPKTHPTBCG-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.98
Rot. Bonds3

About 1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea

1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea (PubChem CID 115759359) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea
PubChem CID115759359
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea
SMILESO=C(NCc1ccccc1O)NC1CCOC1
InChIInChI=1S/C12H16N2O3/c15-11-4-2-1-3-9(11)7-13-12(16)14-10-5-6-17-8-10/h1-4,10,15H,5-8H2,(H2,13,14,16)
InChIKeyARTIQPKTHPTBCG-UHFFFAOYSA-N
XLogP0.98
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea
CID 126787197
1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea
CID 154765265
1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea
CID 115758267
1-(1,3-benzodioxol-5-ylmethyl)-3-(oxolan-3-yl)urea
CID 115755744
1-[(1-methylpyrrol-3-yl)methyl]-3-(oxolan-3-yl)urea
CID 103839161
N-[(3S)-oxolan-3-yl]-2,2-diphenylacetamide
CID 96601820
1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea
CID 115759096
1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea
CID 106370612
2-[(oxolan-3-ylamino)methyl]benzoic acid
CID 103258434
1-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)urea
CID 112703946
1-[(2-nitrophenyl)methyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 124611037
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea?
The IUPAC name of 1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea (CID 115759359) is 1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea is O=C(NCc1ccccc1O)NC1CCOC1.
What is the InChIKey of 1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea?
The InChIKey is ARTIQPKTHPTBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-11-4-2-1-3-9(11)7-13-12(16)14-10-5-6-17-8-10/h1-4,10,15H,5-8H2,(H2,13,14,16).
What are the key properties of 1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea?
1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea has a molecular weight of 236.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115759359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).