1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea

C15H16N2O2 — CID 64794146

IUPAC1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(CO)cc2)cc1
InChIInChI=1S/C15H16N2O2/c1-11-2-6-13(7-3-11)16-15(19)17-14-8-4-12(10-18)5-9-14/h2-9,18H,10H2,1H3,(H2,16,17,19)
InChIKeyUXNLLPKQOGHZMW-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.13
Rot. Bonds3

About 1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea

1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea (PubChem CID 64794146) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
PubChem CID64794146
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(CO)cc2)cc1
InChIInChI=1S/C15H16N2O2/c1-11-2-6-13(7-3-11)16-15(19)17-14-8-4-12(10-18)5-9-14/h2-9,18H,10H2,1H3,(H2,16,17,19)
InChIKeyUXNLLPKQOGHZMW-UHFFFAOYSA-N
XLogP3.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[[bis[[4-[(4-methylphenyl)carbamoylamino]phenyl]methyl]amino]methyl]phenyl]-3-(4-methylphenyl)urea
CID 72544901
(4-methylphenyl)methanol
CID 138734499
1-(3,5-ditert-butylphenyl)-3-[4-(hydroxymethyl)phenyl]urea
CID 102226044
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
methyl N-[4-(hydroxymethyl)phenyl]carbamate
CID 64793961
ethane;(4-methylphenyl)methanol;hydrate
CID 144684706
2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 81112261
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
N'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide
CID 60659461
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386
N-(4-methylphenyl)acetamide
CID 7684
N,3-bis(4-methylphenyl)propanamide
CID 19220434

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea (CID 64794146) is 1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(CO)cc2)cc1.
What is the InChIKey of 1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea?
The InChIKey is UXNLLPKQOGHZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-2-6-13(7-3-11)16-15(19)17-14-8-4-12(10-18)5-9-14/h2-9,18H,10H2,1H3,(H2,16,17,19).
What are the key properties of 1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea?
1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea has a molecular weight of 256.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 64794146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).