1-hydroxy-1-[[2-[3-(4-hydroxyphenyl)phenyl]cyclopropyl]methyl]urea

C17H18N2O3 — CID 57209733

IUPAC1-hydroxy-1-[[2-[3-(4-hydroxyphenyl)phenyl]cyclopropyl]methyl]urea
SMILESNC(=O)N(O)CC1CC1c1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C17H18N2O3/c18-17(21)19(22)10-14-9-16(14)13-3-1-2-12(8-13)11-4-6-15(20)7-5-11/h1-8,14,16,20,22H,9-10H2,(H2,18,21)
InChIKeyLTRZDJIRVZEUQP-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.93
Rot. Bonds4

About 1-hydroxy-1-[[2-[3-(4-hydroxyphenyl)phenyl]cyclopropyl]methyl]urea

1-hydroxy-1-[[2-[3-(4-hydroxyphenyl)phenyl]cyclopropyl]methyl]urea (PubChem CID 57209733) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-hydroxy-1-[[2-[3-(4-hydroxyphenyl)phenyl]cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[[2-[3-(4-hydroxyphenyl)phenyl]cyclopropyl]methyl]urea
PubChem CID57209733
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-hydroxy-1-[[2-[3-(4-hydroxyphenyl)phenyl]cyclopropyl]methyl]urea
SMILESNC(=O)N(O)CC1CC1c1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C17H18N2O3/c18-17(21)19(22)10-14-9-16(14)13-3-1-2-12(8-13)11-4-6-15(20)7-5-11/h1-8,14,16,20,22H,9-10H2,(H2,18,21)
InChIKeyLTRZDJIRVZEUQP-UHFFFAOYSA-N
XLogP2.93
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[[2-[3-(4-hydroxyphenyl)phenyl]cyclopropyl]methyl]urea?
The IUPAC name of 1-hydroxy-1-[[2-[3-(4-hydroxyphenyl)phenyl]cyclopropyl]methyl]urea (CID 57209733) is 1-hydroxy-1-[[2-[3-(4-hydroxyphenyl)phenyl]cyclopropyl]methyl]urea.
What is the SMILES notation for 1-hydroxy-1-[[2-[3-(4-hydroxyphenyl)phenyl]cyclopropyl]methyl]urea?
The canonical SMILES for 1-hydroxy-1-[[2-[3-(4-hydroxyphenyl)phenyl]cyclopropyl]methyl]urea is NC(=O)N(O)CC1CC1c1cccc(-c2ccc(O)cc2)c1.
What is the InChIKey of 1-hydroxy-1-[[2-[3-(4-hydroxyphenyl)phenyl]cyclopropyl]methyl]urea?
The InChIKey is LTRZDJIRVZEUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c18-17(21)19(22)10-14-9-16(14)13-3-1-2-12(8-13)11-4-6-15(20)7-5-11/h1-8,14,16,20,22H,9-10H2,(H2,18,21).
What are the key properties of 1-hydroxy-1-[[2-[3-(4-hydroxyphenyl)phenyl]cyclopropyl]methyl]urea?
1-hydroxy-1-[[2-[3-(4-hydroxyphenyl)phenyl]cyclopropyl]methyl]urea has a molecular weight of 298.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[[2-[3-(4-hydroxyphenyl)phenyl]cyclopropyl]methyl]urea is sourced from PubChem (CID 57209733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).