1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea

C13H18N2O3 — CID 111424142

IUPAC1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C13H18N2O3/c1-2-7-15(8-9-16)13(18)14-10-11-3-5-12(17)6-4-11/h2-6,16-17H,1,7-10H2,(H,14,18)
InChIKeyVAXZMSWTIUIGGA-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.08
Rot. Bonds6

About 1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea

1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea (PubChem CID 111424142) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea
PubChem CID111424142
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C13H18N2O3/c1-2-7-15(8-9-16)13(18)14-10-11-3-5-12(17)6-4-11/h2-6,16-17H,1,7-10H2,(H,14,18)
InChIKeyVAXZMSWTIUIGGA-UHFFFAOYSA-N
XLogP1.08
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 110895646
N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide
CID 113340604
1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea
CID 111424149
3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424077
3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108899227
3-[(4-fluorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108867664
3-[(3-cyanophenyl)methyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424158
3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108868165
3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108884391
2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113368377
3-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424246
1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea
CID 111423629

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea (CID 111424142) is 1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea is C=CCN(CCO)C(=O)NCc1ccc(O)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea?
The InChIKey is VAXZMSWTIUIGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-7-15(8-9-16)13(18)14-10-11-3-5-12(17)6-4-11/h2-6,16-17H,1,7-10H2,(H,14,18).
What are the key properties of 1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea?
1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea has a molecular weight of 250.30 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea is sourced from PubChem (CID 111424142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).