2-[(Z)-4-iminobut-2-enyl]-3-methyl-6-phenylphenol

C17H17NO — CID 145381190

IUPAC2-[(Z)-4-iminobut-2-enyl]-3-methyl-6-phenylphenol
SMILES[H]/N=C/C=C\Cc1c(C)ccc(-c2ccccc2)c1O
InChIInChI=1S/C17H17NO/c1-13-10-11-16(14-7-3-2-4-8-14)17(19)15(13)9-5-6-12-18/h2-8,10-12,18-19H,9H2,1H3/b6-5-,18-12+
InChIKeyNJYLNEGLIDGWEM-IEOUJPFFSA-N
MW251.33 g/mol
LogP4.12
Rot. Bonds4

About 2-[(Z)-4-iminobut-2-enyl]-3-methyl-6-phenylphenol

2-[(Z)-4-iminobut-2-enyl]-3-methyl-6-phenylphenol (PubChem CID 145381190) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(Z)-4-iminobut-2-enyl]-3-methyl-6-phenylphenol.

Molecular Properties

Compound Name2-[(Z)-4-iminobut-2-enyl]-3-methyl-6-phenylphenol
PubChem CID145381190
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-[(Z)-4-iminobut-2-enyl]-3-methyl-6-phenylphenol
SMILES[H]/N=C/C=C\Cc1c(C)ccc(-c2ccccc2)c1O
InChIInChI=1S/C17H17NO/c1-13-10-11-16(14-7-3-2-4-8-14)17(19)15(13)9-5-6-12-18/h2-8,10-12,18-19H,9H2,1H3/b6-5-,18-12+
InChIKeyNJYLNEGLIDGWEM-IEOUJPFFSA-N
XLogP4.12
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine
CID 145067901
3-methyl-6-phenylbenzene-1,2-diol;bis(3-phenylbenzene-1,2-diol)
CID 67932172
2-methyl-6-phenylphenol
CID 12592481
2-fluoro-6-methyl-3-phenylphenol
CID 66800848
methanethiol;2-methanimidoyl-6-phenylphenol
CID 142577801
2-hexyl-4-phenylbenzene-1,3-diol
CID 23109189
1-fluoro-2-[(3E,5Z)-octa-3,5-dien-3-yl]benzene;(Z)-4-(3-methyldibenzofuran-4-yl)but-2-en-1-imine
CID 144857274
but-1-enylbenzene;3-phenylbenzene-1,2-diol
CID 174676185
2-benzyl-3-ethyl-1-methyl-4-phenylbenzene
CID 173399247
(2Z)-2-(1-methylfluoren-9-ylidene)ethanimine
CID 146360185
4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol
CID 139962444
1-methyl-4,8-diphenylazulene
CID 86056773

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-iminobut-2-enyl]-3-methyl-6-phenylphenol?
The IUPAC name of 2-[(Z)-4-iminobut-2-enyl]-3-methyl-6-phenylphenol (CID 145381190) is 2-[(Z)-4-iminobut-2-enyl]-3-methyl-6-phenylphenol.
What is the SMILES notation for 2-[(Z)-4-iminobut-2-enyl]-3-methyl-6-phenylphenol?
The canonical SMILES for 2-[(Z)-4-iminobut-2-enyl]-3-methyl-6-phenylphenol is [H]/N=C/C=C\Cc1c(C)ccc(-c2ccccc2)c1O.
What is the InChIKey of 2-[(Z)-4-iminobut-2-enyl]-3-methyl-6-phenylphenol?
The InChIKey is NJYLNEGLIDGWEM-IEOUJPFFSA-N. The full InChI is InChI=1S/C17H17NO/c1-13-10-11-16(14-7-3-2-4-8-14)17(19)15(13)9-5-6-12-18/h2-8,10-12,18-19H,9H2,1H3/b6-5-,18-12+.
What are the key properties of 2-[(Z)-4-iminobut-2-enyl]-3-methyl-6-phenylphenol?
2-[(Z)-4-iminobut-2-enyl]-3-methyl-6-phenylphenol has a molecular weight of 251.33 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-iminobut-2-enyl]-3-methyl-6-phenylphenol is sourced from PubChem (CID 145381190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).