1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,4,6-trimethylphenyl)urea

C18H22N2O2 — CID 47031870

IUPAC1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)N(C)Cc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C18H22N2O2/c1-12-9-13(2)17(14(3)10-12)19-18(22)20(4)11-15-5-7-16(21)8-6-15/h5-10,21H,11H2,1-4H3,(H,19,22)
InChIKeyPWOWJEOCCQLYCQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.98
Rot. Bonds3

About 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,4,6-trimethylphenyl)urea

1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,4,6-trimethylphenyl)urea (PubChem CID 47031870) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,4,6-trimethylphenyl)urea
PubChem CID47031870
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)N(C)Cc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C18H22N2O2/c1-12-9-13(2)17(14(3)10-12)19-18(22)20(4)11-15-5-7-16(21)8-6-15/h5-10,21H,11H2,1-4H3,(H,19,22)
InChIKeyPWOWJEOCCQLYCQ-UHFFFAOYSA-N
XLogP3.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-Diisopropyl-phenyl)-3-[1-(4-hydroxy-phenyl)-cyclopentylmethyl]-urea
CID 10023571
1-(2,6-Diisopropyl-phenyl)-3-[2-(3-dimethylaminomethyl-4-hydroxy-benzylamino)-2-phenyl-ethyl]-urea
CID 44297006
3-[2-(Diethylaminomethyl)phenyl]-1-[(2-hydroxyphenyl)methyl]-1-methylurea
CID 51085388
Urea derivative, 14
CID 57339943
1-(3-Hydroxyphenyl)-3-[[3-[[(3-hydroxyphenyl)carbamoylamino]methyl]phenyl]methyl]urea
CID 2107728
N-(2,4-dimethylphenyl)-N'-(4-methoxybenzyl)urea
CID 6469913
1-(4-Fluorobenzyl)-1-(2-hydroxy-3,5-dimethylbenzyl)-3-phenylurea
CID 46229380
1-(2-Hydroxy-5-methylbenzyl)-1-(4-hydroxybenzyl)-3-phenylurea
CID 46229406
1-(2-Hydroxy-3,5-dimethylbenzyl)-1-(4-hydroxybenzyl)-3-phenylurea
CID 46229409
3-[4-[(E)-1,2-bis(4-hydroxyphenyl)but-1-enyl]phenyl]-1,1-dimethylurea
CID 71723871
3-[4-[(E)-1,2-bis(4-hydroxyphenyl)but-1-enyl]phenyl]-1,1-diethylurea
CID 71723872
N-[4-[(E)-1,2-bis(4-hydroxyphenyl)but-1-enyl]phenyl]pyrrolidine-1-carboxamide
CID 71723873

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,4,6-trimethylphenyl)urea (CID 47031870) is 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)N(C)Cc2ccc(O)cc2)c(C)c1.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is PWOWJEOCCQLYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-9-13(2)17(14(3)10-12)19-18(22)20(4)11-15-5-7-16(21)8-6-15/h5-10,21H,11H2,1-4H3,(H,19,22).
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,4,6-trimethylphenyl)urea?
1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 298.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 47031870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).