[4-[(2Z)-2-(aminomethoxyimino)-2-phenylethoxy]phenyl]methanol

C16H18N2O3 — CID 172954418

IUPAC[4-[(2Z)-2-(aminomethoxyimino)-2-phenylethoxy]phenyl]methanol
SMILESNCO/N=C(\COc1ccc(CO)cc1)c1ccccc1
InChIInChI=1S/C16H18N2O3/c17-12-21-18-16(14-4-2-1-3-5-14)11-20-15-8-6-13(10-19)7-9-15/h1-9,19H,10-12,17H2/b18-16+
InChIKeyUEUNUHNSQHBDJH-FBMGVBCBSA-N
MW286.33 g/mol
LogP1.89
Rot. Bonds7

About [4-[(2Z)-2-(aminomethoxyimino)-2-phenylethoxy]phenyl]methanol

[4-[(2Z)-2-(aminomethoxyimino)-2-phenylethoxy]phenyl]methanol (PubChem CID 172954418) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is [4-[(2Z)-2-(aminomethoxyimino)-2-phenylethoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2Z)-2-(aminomethoxyimino)-2-phenylethoxy]phenyl]methanol
PubChem CID172954418
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name[4-[(2Z)-2-(aminomethoxyimino)-2-phenylethoxy]phenyl]methanol
SMILESNCO/N=C(\COc1ccc(CO)cc1)c1ccccc1
InChIInChI=1S/C16H18N2O3/c17-12-21-18-16(14-4-2-1-3-5-14)11-20-15-8-6-13(10-19)7-9-15/h1-9,19H,10-12,17H2/b18-16+
InChIKeyUEUNUHNSQHBDJH-FBMGVBCBSA-N
XLogP1.89
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine
CID 141330759
(NE)-N-[2-(4-fluorophenoxy)-1-phenylethylidene]hydroxylamine
CID 71595074
ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate
CID 123759809
4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 74062145
methyl 3-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
CID 86695725
benzyl 3-amino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
CID 88582976
O-[[4-(hydroxymethyl)phenyl]methyl] benzenecarbothioate
CID 18930839
[4-(3-aminopropoxy)phenyl]methanol;hydrochloride
CID 118916202
3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-phenylpropanoic acid
CID 56639772
4-[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenoxy]benzaldehyde
CID 87106577
4-[[4-[(2Z)-2-hydroxyimino-2-phenylethoxy]phenyl]methoxy]benzaldehyde
CID 88581373
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120

Frequently Asked Questions

What is the IUPAC name of [4-[(2Z)-2-(aminomethoxyimino)-2-phenylethoxy]phenyl]methanol?
The IUPAC name of [4-[(2Z)-2-(aminomethoxyimino)-2-phenylethoxy]phenyl]methanol (CID 172954418) is [4-[(2Z)-2-(aminomethoxyimino)-2-phenylethoxy]phenyl]methanol.
What is the SMILES notation for [4-[(2Z)-2-(aminomethoxyimino)-2-phenylethoxy]phenyl]methanol?
The canonical SMILES for [4-[(2Z)-2-(aminomethoxyimino)-2-phenylethoxy]phenyl]methanol is NCO/N=C(\COc1ccc(CO)cc1)c1ccccc1.
What is the InChIKey of [4-[(2Z)-2-(aminomethoxyimino)-2-phenylethoxy]phenyl]methanol?
The InChIKey is UEUNUHNSQHBDJH-FBMGVBCBSA-N. The full InChI is InChI=1S/C16H18N2O3/c17-12-21-18-16(14-4-2-1-3-5-14)11-20-15-8-6-13(10-19)7-9-15/h1-9,19H,10-12,17H2/b18-16+.
What are the key properties of [4-[(2Z)-2-(aminomethoxyimino)-2-phenylethoxy]phenyl]methanol?
[4-[(2Z)-2-(aminomethoxyimino)-2-phenylethoxy]phenyl]methanol has a molecular weight of 286.33 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2Z)-2-(aminomethoxyimino)-2-phenylethoxy]phenyl]methanol is sourced from PubChem (CID 172954418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).