1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea

C18H22N2O3 — CID 108883846

IUPAC1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCc1ccc(O)c(NC(=O)NCCCOc2ccccc2C)c1
InChIInChI=1S/C18H22N2O3/c1-13-8-9-16(21)15(12-13)20-18(22)19-10-5-11-23-17-7-4-3-6-14(17)2/h3-4,6-9,12,21H,5,10-11H2,1-2H3,(H2,19,20,22)
InChIKeyPJABMSKLBMXSOY-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.60
Rot. Bonds6

About 1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea

1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea (PubChem CID 108883846) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
PubChem CID108883846
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCc1ccc(O)c(NC(=O)NCCCOc2ccccc2C)c1
InChIInChI=1S/C18H22N2O3/c1-13-8-9-16(21)15(12-13)20-18(22)19-10-5-11-23-17-7-4-3-6-14(17)2/h3-4,6-9,12,21H,5,10-11H2,1-2H3,(H2,19,20,22)
InChIKeyPJABMSKLBMXSOY-UHFFFAOYSA-N
XLogP3.60
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883820
1-(4-hydroxy-2-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883755
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-hydroxy-4-methylphenyl)urea
CID 108881813
1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883694
1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883771
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883971
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883961
1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972269
1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883834
1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969838

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The IUPAC name of 1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea (CID 108883846) is 1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea is Cc1ccc(O)c(NC(=O)NCCCOc2ccccc2C)c1.
What is the InChIKey of 1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The InChIKey is PJABMSKLBMXSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-8-9-16(21)15(12-13)20-18(22)19-10-5-11-23-17-7-4-3-6-14(17)2/h3-4,6-9,12,21H,5,10-11H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea has a molecular weight of 314.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea is sourced from PubChem (CID 108883846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).