1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-cyclohexylurea

C15H21ClN2O3 — CID 69013408

IUPAC1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-cyclohexylurea
SMILESCC(O)c1cc(Cl)cc(NC(=O)NC2CCCCC2)c1O
InChIInChI=1S/C15H21ClN2O3/c1-9(19)12-7-10(16)8-13(14(12)20)18-15(21)17-11-5-3-2-4-6-11/h7-9,11,19-20H,2-6H2,1H3,(H2,17,18,21)
InChIKeyOXKWLBDXSKXVRY-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.55
Rot. Bonds3

About 1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-cyclohexylurea

1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-cyclohexylurea (PubChem CID 69013408) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-cyclohexylurea
PubChem CID69013408
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-cyclohexylurea
SMILESCC(O)c1cc(Cl)cc(NC(=O)NC2CCCCC2)c1O
InChIInChI=1S/C15H21ClN2O3/c1-9(19)12-7-10(16)8-13(14(12)20)18-15(21)17-11-5-3-2-4-6-11/h7-9,11,19-20H,2-6H2,1H3,(H2,17,18,21)
InChIKeyOXKWLBDXSKXVRY-UHFFFAOYSA-N
XLogP3.55
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea
CID 4253311
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide
CID 78933522
1-[3-chloro-4-hydroxy-5-(1-hydroxyethyl)phenyl]-3-cyclohexylurea;1-[3-chloro-4-hydroxy-5-(1-hydroxyethyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 160802020
1-(3-chloro-5-methylphenyl)-3-cyclohexylurea
CID 143846785
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16771427
1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea
CID 67521970
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
N-[2-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 113093681

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-cyclohexylurea?
The IUPAC name of 1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-cyclohexylurea (CID 69013408) is 1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-cyclohexylurea?
The canonical SMILES for 1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-cyclohexylurea is CC(O)c1cc(Cl)cc(NC(=O)NC2CCCCC2)c1O.
What is the InChIKey of 1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-cyclohexylurea?
The InChIKey is OXKWLBDXSKXVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-9(19)12-7-10(16)8-13(14(12)20)18-15(21)17-11-5-3-2-4-6-11/h7-9,11,19-20H,2-6H2,1H3,(H2,17,18,21).
What are the key properties of 1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-cyclohexylurea?
1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-cyclohexylurea has a molecular weight of 312.80 g/mol, XLogP of 3.55, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-cyclohexylurea is sourced from PubChem (CID 69013408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).