5-hexoxy-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol

C19H23NO3 — CID 135699307

IUPAC5-hexoxy-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol
SMILESCCCCCCOc1ccc(/C(=N/O)c2ccccc2)c(O)c1
InChIInChI=1S/C19H23NO3/c1-2-3-4-8-13-23-16-11-12-17(18(21)14-16)19(20-22)15-9-6-5-7-10-15/h5-7,9-12,14,21-22H,2-4,8,13H2,1H3/b20-19+
InChIKeyGDEPSOALCMGGTL-FMQUCBEESA-N
MW313.40 g/mol
LogP4.58
Rot. Bonds8

About 5-hexoxy-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol

5-hexoxy-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol (PubChem CID 135699307) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-hexoxy-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol.

Molecular Properties

Compound Name5-hexoxy-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol
PubChem CID135699307
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name5-hexoxy-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol
SMILESCCCCCCOc1ccc(/C(=N/O)c2ccccc2)c(O)c1
InChIInChI=1S/C19H23NO3/c1-2-3-4-8-13-23-16-11-12-17(18(21)14-16)19(20-22)15-9-6-5-7-10-15/h5-7,9-12,14,21-22H,2-4,8,13H2,1H3/b20-19+
InChIKeyGDEPSOALCMGGTL-FMQUCBEESA-N
XLogP4.58
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.58
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-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 136848935
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
2-[(E)-C-benzyl-N-hydroxycarbonimidoyl]-5-hexoxyphenol
CID 135699007
2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol
CID 135717091
2-[(E)-N-[(E)-[(2-hydroxy-5-pentoxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]-4-pentoxyphenol
CID 135589320
dichloromethane;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 174965909
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
5-butoxy-2-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135699539
5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol
CID 4282509
(4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone
CID 19832534

Frequently Asked Questions

What is the IUPAC name of 5-hexoxy-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol?
The IUPAC name of 5-hexoxy-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol (CID 135699307) is 5-hexoxy-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol.
What is the SMILES notation for 5-hexoxy-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol?
The canonical SMILES for 5-hexoxy-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol is CCCCCCOc1ccc(/C(=N/O)c2ccccc2)c(O)c1.
What is the InChIKey of 5-hexoxy-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol?
The InChIKey is GDEPSOALCMGGTL-FMQUCBEESA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-3-4-8-13-23-16-11-12-17(18(21)14-16)19(20-22)15-9-6-5-7-10-15/h5-7,9-12,14,21-22H,2-4,8,13H2,1H3/b20-19+.
What are the key properties of 5-hexoxy-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol?
5-hexoxy-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol has a molecular weight of 313.40 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexoxy-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol is sourced from PubChem (CID 135699307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).