(NE)-N-[(2Z)-2-hydroxyimino-1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine

C16H16N2O4 — CID 135449180

IUPAC(NE)-N-[(2Z)-2-hydroxyimino-1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine
SMILESCOc1ccc(C(=N/O)/C(=N/O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H16N2O4/c1-21-13-7-3-11(4-8-13)15(17-19)16(18-20)12-5-9-14(22-2)10-6-12/h3-10,19-20H,1-2H3/b17-15-,18-16+
InChIKeyWKHAEMSIWFZXOP-JRDMOELTSA-N
MW300.31 g/mol
LogP2.76
Rot. Bonds5

About (NE)-N-[(2Z)-2-hydroxyimino-1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine

(NE)-N-[(2Z)-2-hydroxyimino-1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine (PubChem CID 135449180) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (NE)-N-[(2Z)-2-hydroxyimino-1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2Z)-2-hydroxyimino-1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine
PubChem CID135449180
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(NE)-N-[(2Z)-2-hydroxyimino-1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine
SMILESCOc1ccc(C(=N/O)/C(=N/O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H16N2O4/c1-21-13-7-3-11(4-8-13)15(17-19)16(18-20)12-5-9-14(22-2)10-6-12/h3-10,19-20H,1-2H3/b17-15-,18-16+
InChIKeyWKHAEMSIWFZXOP-JRDMOELTSA-N
XLogP2.76
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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

Benzaldehyde, 4-methoxy-, 2-((4-methoxyphenyl)methylene)hydrazone
CID 6861420
3,4-Bis(4-methoxyphenyl)hex-3-ene
CID 3032539
4-Methoxybenzaldehyde Oxime
CID 5371961
4,4'-Dimethoxybibenzyl
CID 74261
2-(4-Hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-(4-methoxyphenyl)acetonitrile
CID 346838
1-(3-Methoxyphenyl)ethanone [1-(3-methoxyphenyl)ethylidene]hydrazone
CID 5331696
1,1'-Methylenebis(4-methoxybenzene)
CID 219137
1,1-Bis(4-methoxyphenyl)ethylene
CID 316724
p-Anisaldehyde, oxime, (Z)-
CID 5371924
Phosphonic acid, (4,5-dihydro-3-(4-methoxyphenyl)-5-isoxazolyl)-
CID 3079438
2-Methoxybenzaldehyde azine
CID 9575478
4-(Benzyloxy)benzaldehyde oxime
CID 5331442

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2Z)-2-hydroxyimino-1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2Z)-2-hydroxyimino-1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine (CID 135449180) is (NE)-N-[(2Z)-2-hydroxyimino-1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2Z)-2-hydroxyimino-1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2Z)-2-hydroxyimino-1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine is COc1ccc(C(=N/O)/C(=N/O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (NE)-N-[(2Z)-2-hydroxyimino-1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine?
The InChIKey is WKHAEMSIWFZXOP-JRDMOELTSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-21-13-7-3-11(4-8-13)15(17-19)16(18-20)12-5-9-14(22-2)10-6-12/h3-10,19-20H,1-2H3/b17-15-,18-16+.
What are the key properties of (NE)-N-[(2Z)-2-hydroxyimino-1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine?
(NE)-N-[(2Z)-2-hydroxyimino-1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine has a molecular weight of 300.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2Z)-2-hydroxyimino-1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 135449180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).