1-(5-chloro-2-hydroxyphenyl)-3-(oxan-4-ylmethyl)urea

C13H17ClN2O3 — CID 108912841

IUPAC1-(5-chloro-2-hydroxyphenyl)-3-(oxan-4-ylmethyl)urea
SMILESO=C(NCC1CCOCC1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C13H17ClN2O3/c14-10-1-2-12(17)11(7-10)16-13(18)15-8-9-3-5-19-6-4-9/h1-2,7,9,17H,3-6,8H2,(H2,15,16,18)
InChIKeyGWEPGXMVNDNBFF-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.59
Rot. Bonds3

About 1-(5-chloro-2-hydroxyphenyl)-3-(oxan-4-ylmethyl)urea

1-(5-chloro-2-hydroxyphenyl)-3-(oxan-4-ylmethyl)urea (PubChem CID 108912841) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)-3-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxyphenyl)-3-(oxan-4-ylmethyl)urea
PubChem CID108912841
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name1-(5-chloro-2-hydroxyphenyl)-3-(oxan-4-ylmethyl)urea
SMILESO=C(NCC1CCOCC1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C13H17ClN2O3/c14-10-1-2-12(17)11(7-10)16-13(18)15-8-9-3-5-19-6-4-9/h1-2,7,9,17H,3-6,8H2,(H2,15,16,18)
InChIKeyGWEPGXMVNDNBFF-UHFFFAOYSA-N
XLogP2.59
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenyl)-3-(oxan-4-ylmethyl)urea
CID 108912758
4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide
CID 62328293
1-(4-chloro-2-pyridinyl)-3-(oxan-4-ylmethyl)urea
CID 108913035
1-(2,4-difluorophenyl)-3-(oxan-4-ylmethyl)urea
CID 108912997
4-fluoro-3-(oxan-4-ylmethylcarbamoylamino)benzoic acid
CID 63705581
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
5-chloro-2-(cyclopropylmethylcarbamoylamino)benzoic acid
CID 61182658
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
CID 3867881
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline
CID 62385301
1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108912803
1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
CID 108912943

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-(oxan-4-ylmethyl)urea?
The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-(oxan-4-ylmethyl)urea (CID 108912841) is 1-(5-chloro-2-hydroxyphenyl)-3-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)-3-(oxan-4-ylmethyl)urea?
The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)-3-(oxan-4-ylmethyl)urea is O=C(NCC1CCOCC1)Nc1cc(Cl)ccc1O.
What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)-3-(oxan-4-ylmethyl)urea?
The InChIKey is GWEPGXMVNDNBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c14-10-1-2-12(17)11(7-10)16-13(18)15-8-9-3-5-19-6-4-9/h1-2,7,9,17H,3-6,8H2,(H2,15,16,18).
What are the key properties of 1-(5-chloro-2-hydroxyphenyl)-3-(oxan-4-ylmethyl)urea?
1-(5-chloro-2-hydroxyphenyl)-3-(oxan-4-ylmethyl)urea has a molecular weight of 284.74 g/mol, XLogP of 2.59, 3 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-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 108912841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).