1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea

C17H19ClN2O3 — CID 108883820

IUPAC1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCc1ccccc1OCCCNC(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C17H19ClN2O3/c1-12-5-2-3-6-16(12)23-10-4-9-19-17(22)20-14-11-13(18)7-8-15(14)21/h2-3,5-8,11,21H,4,9-10H2,1H3,(H2,19,20,22)
InChIKeyZOPFRCOCFPGXAY-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.94
Rot. Bonds6

About 1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea

1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea (PubChem CID 108883820) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
PubChem CID108883820
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCc1ccccc1OCCCNC(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C17H19ClN2O3/c1-12-5-2-3-6-16(12)23-10-4-9-19-17(22)20-14-11-13(18)7-8-15(14)21/h2-3,5-8,11,21H,4,9-10H2,1H3,(H2,19,20,22)
InChIKeyZOPFRCOCFPGXAY-UHFFFAOYSA-N
XLogP3.94
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.94
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-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883846
1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969838
1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883801
1-(4-hydroxy-2-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883755
1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea
CID 108887027
1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108884029
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883971
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883961
1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
CID 108884020
1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969888
1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883694

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea (CID 108883820) is 1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea is Cc1ccccc1OCCCNC(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The InChIKey is ZOPFRCOCFPGXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-12-5-2-3-6-16(12)23-10-4-9-19-17(22)20-14-11-13(18)7-8-15(14)21/h2-3,5-8,11,21H,4,9-10H2,1H3,(H2,19,20,22).
What are the key properties of 1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea has a molecular weight of 334.80 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea is sourced from PubChem (CID 108883820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).