2-(N-hydroxy-C-propylcarbonimidoyl)-5-phenylmethoxyphenol

C17H19NO3 — CID 4197796

IUPAC2-(N-hydroxy-C-propylcarbonimidoyl)-5-phenylmethoxyphenol
SMILESCCCC(=NO)c1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C17H19NO3/c1-2-6-16(18-20)15-10-9-14(11-17(15)19)21-12-13-7-4-3-5-8-13/h3-5,7-11,19-20H,2,6,12H2,1H3
InChIKeyLKQWVHDDLVHBEA-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.95
Rot. Bonds6

About 2-(N-hydroxy-C-propylcarbonimidoyl)-5-phenylmethoxyphenol

2-(N-hydroxy-C-propylcarbonimidoyl)-5-phenylmethoxyphenol (PubChem CID 4197796) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(N-hydroxy-C-propylcarbonimidoyl)-5-phenylmethoxyphenol.

Molecular Properties

Compound Name2-(N-hydroxy-C-propylcarbonimidoyl)-5-phenylmethoxyphenol
PubChem CID4197796
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-(N-hydroxy-C-propylcarbonimidoyl)-5-phenylmethoxyphenol
SMILESCCCC(=NO)c1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C17H19NO3/c1-2-6-16(18-20)15-10-9-14(11-17(15)19)21-12-13-7-4-3-5-8-13/h3-5,7-11,19-20H,2,6,12H2,1H3
InChIKeyLKQWVHDDLVHBEA-UHFFFAOYSA-N
XLogP3.95
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-C-benzyl-N-hydroxycarbonimidoyl]-5-phenylmethoxyphenol
CID 135699535
2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol
CID 135717091
2-[(E)-C-benzyl-N-hydroxycarbonimidoyl]-5-hexoxyphenol
CID 135699007
4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]benzene-1,3-diol
CID 136848905
5-butoxy-2-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135699539
5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol
CID 4282509
2-(N-hydroxy-C-propylcarbonimidoyl)phenol
CID 577235
5-butoxy-2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenol
CID 137035171
N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
CID 81278044
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 136848935
[4-[4-(4-benzoyl-3-hydroxyphenoxy)butoxy]-2-hydroxyphenyl]-phenylmethanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-phenylmethoxyphenyl)-phenylmethanone
CID 162002318

Frequently Asked Questions

What is the IUPAC name of 2-(N-hydroxy-C-propylcarbonimidoyl)-5-phenylmethoxyphenol?
The IUPAC name of 2-(N-hydroxy-C-propylcarbonimidoyl)-5-phenylmethoxyphenol (CID 4197796) is 2-(N-hydroxy-C-propylcarbonimidoyl)-5-phenylmethoxyphenol.
What is the SMILES notation for 2-(N-hydroxy-C-propylcarbonimidoyl)-5-phenylmethoxyphenol?
The canonical SMILES for 2-(N-hydroxy-C-propylcarbonimidoyl)-5-phenylmethoxyphenol is CCCC(=NO)c1ccc(OCc2ccccc2)cc1O.
What is the InChIKey of 2-(N-hydroxy-C-propylcarbonimidoyl)-5-phenylmethoxyphenol?
The InChIKey is LKQWVHDDLVHBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-6-16(18-20)15-10-9-14(11-17(15)19)21-12-13-7-4-3-5-8-13/h3-5,7-11,19-20H,2,6,12H2,1H3.
What are the key properties of 2-(N-hydroxy-C-propylcarbonimidoyl)-5-phenylmethoxyphenol?
2-(N-hydroxy-C-propylcarbonimidoyl)-5-phenylmethoxyphenol has a molecular weight of 285.34 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-hydroxy-C-propylcarbonimidoyl)-5-phenylmethoxyphenol is sourced from PubChem (CID 4197796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).