[1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methylazanidylbuta-1,3-dien-2-yl]-methylazanide

C19H20N2O2-2 — CID 163133886

IUPAC[1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methylazanidylbuta-1,3-dien-2-yl]-methylazanide
SMILESC[N-]C(=Cc1ccc(O)cc1)C(=Cc1ccc(OC)cc1)[N-]C
InChIInChI=1S/C19H20N2O2/c1-20-18(12-14-4-8-16(22)9-5-14)19(21-2)13-15-6-10-17(23-3)11-7-15/h4-13,22H,1-3H3/q-2
InChIKeyODNXQILKQKTJHL-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.79
Rot. Bonds6

About [1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methylazanidylbuta-1,3-dien-2-yl]-methylazanide

[1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methylazanidylbuta-1,3-dien-2-yl]-methylazanide (PubChem CID 163133886) has the molecular formula C19H20N2O2-2 and a molecular weight of 308.38 g/mol. Its IUPAC name is [1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methylazanidylbuta-1,3-dien-2-yl]-methylazanide.

Molecular Properties

Compound Name[1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methylazanidylbuta-1,3-dien-2-yl]-methylazanide
PubChem CID163133886
Molecular FormulaC19H20N2O2-2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name[1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methylazanidylbuta-1,3-dien-2-yl]-methylazanide
SMILESC[N-]C(=Cc1ccc(O)cc1)C(=Cc1ccc(OC)cc1)[N-]C
InChIInChI=1S/C19H20N2O2/c1-20-18(12-14-4-8-16(22)9-5-14)19(21-2)13-15-6-10-17(23-3)11-7-15/h4-13,22H,1-3H3/q-2
InChIKeyODNXQILKQKTJHL-UHFFFAOYSA-N
XLogP4.79
TPSA57.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile
CID 85101046
methane;4-methoxyphenol
CID 159494332
4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol
CID 46867451
bis(4-methoxyphenol);zirconium(2+);dichloride
CID 172849740
1-(2,2-dibromoethenyl)-4-methoxybenzene
CID 10859278
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
benzene-1,2-diol;4-methoxyphenol
CID 70292826
4-methoxyphenol;4-methylphenol
CID 158312507
1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene
CID 125475931
cyanic acid;4-methoxyphenol
CID 172812844
(2E,3E)-2,3-bis[(4-methoxyphenyl)methylidene]butanedial
CID 12694230
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510327

Frequently Asked Questions

What is the IUPAC name of [1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methylazanidylbuta-1,3-dien-2-yl]-methylazanide?
The IUPAC name of [1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methylazanidylbuta-1,3-dien-2-yl]-methylazanide (CID 163133886) is [1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methylazanidylbuta-1,3-dien-2-yl]-methylazanide.
What is the SMILES notation for [1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methylazanidylbuta-1,3-dien-2-yl]-methylazanide?
The canonical SMILES for [1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methylazanidylbuta-1,3-dien-2-yl]-methylazanide is C[N-]C(=Cc1ccc(O)cc1)C(=Cc1ccc(OC)cc1)[N-]C.
What is the InChIKey of [1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methylazanidylbuta-1,3-dien-2-yl]-methylazanide?
The InChIKey is ODNXQILKQKTJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-20-18(12-14-4-8-16(22)9-5-14)19(21-2)13-15-6-10-17(23-3)11-7-15/h4-13,22H,1-3H3/q-2.
What are the key properties of [1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methylazanidylbuta-1,3-dien-2-yl]-methylazanide?
[1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methylazanidylbuta-1,3-dien-2-yl]-methylazanide has a molecular weight of 308.38 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methylazanidylbuta-1,3-dien-2-yl]-methylazanide is sourced from PubChem (CID 163133886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).