5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol

C17H19NO3 — CID 136848935

IUPAC5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol
SMILESCCCCOc1ccc(/C(=N\O)c2ccccc2)c(O)c1
InChIInChI=1S/C17H19NO3/c1-2-3-11-21-14-9-10-15(16(19)12-14)17(18-20)13-7-5-4-6-8-13/h4-10,12,19-20H,2-3,11H2,1H3/b18-17-
InChIKeyXKLFBEHONAWGKI-ZCXUNETKSA-N
MW285.34 g/mol
LogP3.80
Rot. Bonds6

About 5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol

5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol (PubChem CID 136848935) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol.

Molecular Properties

Compound Name5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol
PubChem CID136848935
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol
SMILESCCCCOc1ccc(/C(=N\O)c2ccccc2)c(O)c1
InChIInChI=1S/C17H19NO3/c1-2-3-11-21-14-9-10-15(16(19)12-14)17(18-20)13-7-5-4-6-8-13/h4-10,12,19-20H,2-3,11H2,1H3/b18-17-
InChIKeyXKLFBEHONAWGKI-ZCXUNETKSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

5-hexoxy-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 135699307
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
2-[(E)-N-[(E)-[(2-hydroxy-5-pentoxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]-4-pentoxyphenol
CID 135589320
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
5-butoxy-2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenol
CID 137035171
2-[(E)-C-benzyl-N-hydroxycarbonimidoyl]-5-hexoxyphenol
CID 135699007
2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol
CID 135717091
dichloromethane;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 174965909
5-butoxy-2-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135699539
5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol
CID 4282509
bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone
CID 162233219
[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 5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol?
The IUPAC name of 5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol (CID 136848935) is 5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol.
What is the SMILES notation for 5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol?
The canonical SMILES for 5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol is CCCCOc1ccc(/C(=N\O)c2ccccc2)c(O)c1.
What is the InChIKey of 5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol?
The InChIKey is XKLFBEHONAWGKI-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-3-11-21-14-9-10-15(16(19)12-14)17(18-20)13-7-5-4-6-8-13/h4-10,12,19-20H,2-3,11H2,1H3/b18-17-.
What are the key properties of 5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol?
5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol has a molecular weight of 285.34 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol is sourced from PubChem (CID 136848935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).