1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea

C17H20N2O3 — CID 108883694

IUPAC1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCc1ccccc1OCCCNC(=O)Nc1cccc(O)c1
InChIInChI=1S/C17H20N2O3/c1-13-6-2-3-9-16(13)22-11-5-10-18-17(21)19-14-7-4-8-15(20)12-14/h2-4,6-9,12,20H,5,10-11H2,1H3,(H2,18,19,21)
InChIKeyWMXAHUZRWMLNJD-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.29
Rot. Bonds6

About 1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea

1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea (PubChem CID 108883694) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
PubChem CID108883694
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCc1ccccc1OCCCNC(=O)Nc1cccc(O)c1
InChIInChI=1S/C17H20N2O3/c1-13-6-2-3-9-16(13)22-11-5-10-18-17(21)19-14-7-4-8-15(20)12-14/h2-4,6-9,12,20H,5,10-11H2,1H3,(H2,18,19,21)
InChIKeyWMXAHUZRWMLNJD-UHFFFAOYSA-N
XLogP3.29
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883801
methyl 3-[3-(2-methylphenoxy)propylcarbamoylamino]benzoate
CID 108884001
1-(4-hydroxy-2-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883755
1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883771
1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea
CID 71353515
1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883788
1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883846
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883961
1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883834
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883820
1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 108883611

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The IUPAC name of 1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea (CID 108883694) is 1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea is Cc1ccccc1OCCCNC(=O)Nc1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The InChIKey is WMXAHUZRWMLNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13-6-2-3-9-16(13)22-11-5-10-18-17(21)19-14-7-4-8-15(20)12-14/h2-4,6-9,12,20H,5,10-11H2,1H3,(H2,18,19,21).
What are the key properties of 1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea has a molecular weight of 300.36 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea is sourced from PubChem (CID 108883694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).