1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea

C14H12Cl2N2O3 — CID 108880828

IUPAC1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea
SMILESO=C(NCOc1ccc(Cl)cc1Cl)Nc1cccc(O)c1
InChIInChI=1S/C14H12Cl2N2O3/c15-9-4-5-13(12(16)6-9)21-8-17-14(20)18-10-2-1-3-11(19)7-10/h1-7,19H,8H2,(H2,17,18,20)
InChIKeyHTDHISBSYFRRRV-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.86
Rot. Bonds4

About 1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea

1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea (PubChem CID 108880828) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea
PubChem CID108880828
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea
SMILESO=C(NCOc1ccc(Cl)cc1Cl)Nc1cccc(O)c1
InChIInChI=1S/C14H12Cl2N2O3/c15-9-4-5-13(12(16)6-9)21-8-17-14(20)18-10-2-1-3-11(19)7-10/h1-7,19H,8H2,(H2,17,18,20)
InChIKeyHTDHISBSYFRRRV-UHFFFAOYSA-N
XLogP3.86
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4-dichlorophenoxy)methylcarbamoylamino]benzoic acid
CID 108880826
1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea
CID 108880841
1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea
CID 108880965
1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxyphenyl)urea
CID 108880931
1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108881118
4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 601178
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108881068
1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea
CID 108880980
1-(2-chloro-3-pyridinyl)-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880972
1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea
CID 108881082
1-tert-butyl-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880884
1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880889

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea?
The IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea (CID 108880828) is 1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea.
What is the SMILES notation for 1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea?
The canonical SMILES for 1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea is O=C(NCOc1ccc(Cl)cc1Cl)Nc1cccc(O)c1.
What is the InChIKey of 1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea?
The InChIKey is HTDHISBSYFRRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c15-9-4-5-13(12(16)6-9)21-8-17-14(20)18-10-2-1-3-11(19)7-10/h1-7,19H,8H2,(H2,17,18,20).
What are the key properties of 1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea?
1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea has a molecular weight of 327.17 g/mol, XLogP of 3.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea is sourced from PubChem (CID 108880828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).