1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea

C12H18N2O3 — CID 110903976

IUPAC1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
SMILESCC(Cc1ccc(O)cc1)NC(=O)NCCO
InChIInChI=1S/C12H18N2O3/c1-9(14-12(17)13-6-7-15)8-10-2-4-11(16)5-3-10/h2-5,9,15-16H,6-8H2,1H3,(H2,13,14,17)
InChIKeyBUEVLWCBPMBBJI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.61
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea

1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea (PubChem CID 110903976) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
PubChem CID110903976
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
SMILESCC(Cc1ccc(O)cc1)NC(=O)NCCO
InChIInChI=1S/C12H18N2O3/c1-9(14-12(17)13-6-7-15)8-10-2-4-11(16)5-3-10/h2-5,9,15-16H,6-8H2,1H3,(H2,13,14,17)
InChIKeyBUEVLWCBPMBBJI-UHFFFAOYSA-N
XLogP0.61
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]-3-(2-methoxyethyl)urea
CID 94197717
1-[1-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60577862
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416
1-[3-(4-hydroxyphenyl)propyl]-3-(1-hydroxypropan-2-yl)urea
CID 111428407
1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
CID 111426773
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide
CID 143996671
1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 110894145
1-[(2S)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(2-hydroxyethyl)urea
CID 97246462
1-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]-3-(3-hydroxypropyl)urea
CID 95968508
4-[1-(4-fluorophenyl)propan-2-ylcarbamoylamino]-2-hydroxybutanoic acid
CID 107839823
(2S)-4-[1-(4-fluorophenyl)propan-2-ylcarbamoylamino]-2-hydroxybutanoic acid
CID 107839824

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea (CID 110903976) is 1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea is CC(Cc1ccc(O)cc1)NC(=O)NCCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea?
The InChIKey is BUEVLWCBPMBBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(14-12(17)13-6-7-15)8-10-2-4-11(16)5-3-10/h2-5,9,15-16H,6-8H2,1H3,(H2,13,14,17).
What are the key properties of 1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea?
1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea has a molecular weight of 238.29 g/mol, XLogP of 0.61, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 110903976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).