1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea

C11H14N2O2 — CID 108909666

IUPAC1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C11H14N2O2/c1-3-6-12-11(15)13-9-5-4-8(2)7-10(9)14/h3-7,14H,1-2H3,(H2,12,13,15)/b6-3+
InChIKeyBSGHILTWECDACO-ZZXKWVIFSA-N
MW206.24 g/mol
LogP2.36
Rot. Bonds2

About 1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea

1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea (PubChem CID 108909666) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea
PubChem CID108909666
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C11H14N2O2/c1-3-6-12-11(15)13-9-5-4-8(2)7-10(9)14/h3-7,14H,1-2H3,(H2,12,13,15)/b6-3+
InChIKeyBSGHILTWECDACO-ZZXKWVIFSA-N
XLogP2.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxy-4-methylphenyl)urea
CID 108904840
1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909499
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909389
1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905958
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197
1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907333
(2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide
CID 127013339
3-(2-hydroxy-4-methylphenyl)-1,1-dimethylurea
CID 79154521
2-ethyl-N-(2-hydroxy-4-methylphenyl)butanamide
CID 1234613
1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea
CID 14208459
1-(2-hydroxyphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905408

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea?
The IUPAC name of 1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea (CID 108909666) is 1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea.
What is the SMILES notation for 1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea?
The canonical SMILES for 1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea is C/C=C/NC(=O)Nc1ccc(C)cc1O.
What is the InChIKey of 1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea?
The InChIKey is BSGHILTWECDACO-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-6-12-11(15)13-9-5-4-8(2)7-10(9)14/h3-7,14H,1-2H3,(H2,12,13,15)/b6-3+.
What are the key properties of 1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea?
1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea has a molecular weight of 206.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea is sourced from PubChem (CID 108909666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).