1-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-3-phenylmethoxypropan-2-ol

C19H23NO4 — CID 113235688

IUPAC1-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-3-phenylmethoxypropan-2-ol
SMILESCC/C(=N/O)c1ccccc1OCC(O)COCc1ccccc1
InChIInChI=1S/C19H23NO4/c1-2-18(20-22)17-10-6-7-11-19(17)24-14-16(21)13-23-12-15-8-4-3-5-9-15/h3-11,16,21-22H,2,12-14H2,1H3/b20-18-
InChIKeyFYEJWGUJILEZRA-ZZEZOPTASA-N
MW329.40 g/mol
LogP3.23
Rot. Bonds9

About 1-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-3-phenylmethoxypropan-2-ol

1-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-3-phenylmethoxypropan-2-ol (PubChem CID 113235688) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-3-phenylmethoxypropan-2-ol
PubChem CID113235688
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name1-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-3-phenylmethoxypropan-2-ol
SMILESCC/C(=N/O)c1ccccc1OCC(O)COCc1ccccc1
InChIInChI=1S/C19H23NO4/c1-2-18(20-22)17-10-6-7-11-19(17)24-14-16(21)13-23-12-15-8-4-3-5-9-15/h3-11,16,21-22H,2,12-14H2,1H3/b20-18-
InChIKeyFYEJWGUJILEZRA-ZZEZOPTASA-N
XLogP3.23
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]propane-1,2-diol
CID 82849492
(NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine
CID 54935980
(NE)-N-[1-(2-prop-2-ynoxyphenyl)propylidene]hydroxylamine
CID 24695847
N-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide
CID 24689546
(NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine
CID 43823257
3-[2-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]prop-2-enoic acid
CID 175151116
N-[1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propylidene]hydroxylamine
CID 76905202
2-(2-hydroxy-3-phenylmethoxypropoxy)-4-propoxybenzaldehyde
CID 113235685
CID 172760983
CID 172760983
1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
CID 106939746
(4S)-5-phenylmethoxypentane-1,4-diol
CID 13181690
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-3-phenylmethoxypropan-2-ol (CID 113235688) is 1-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-3-phenylmethoxypropan-2-ol is CC/C(=N/O)c1ccccc1OCC(O)COCc1ccccc1.
What is the InChIKey of 1-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-3-phenylmethoxypropan-2-ol?
The InChIKey is FYEJWGUJILEZRA-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H23NO4/c1-2-18(20-22)17-10-6-7-11-19(17)24-14-16(21)13-23-12-15-8-4-3-5-9-15/h3-11,16,21-22H,2,12-14H2,1H3/b20-18-.
What are the key properties of 1-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-3-phenylmethoxypropan-2-ol?
1-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-3-phenylmethoxypropan-2-ol has a molecular weight of 329.40 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 113235688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).