[4-[[(Z)-4-phenylbut-2-enylidene]amino]phenyl]methanediol

C17H17NO2 — CID 123241914

IUPAC[4-[[(Z)-4-phenylbut-2-enylidene]amino]phenyl]methanediol
SMILESOC(O)c1ccc(/N=C/C=C\Cc2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c19-17(20)15-9-11-16(12-10-15)18-13-5-4-8-14-6-2-1-3-7-14/h1-7,9-13,17,19-20H,8H2/b5-4-,18-13+
InChIKeyXBZWDEKJBQYGPO-YQRNLGRPSA-N
MW267.33 g/mol
LogP3.17
Rot. Bonds5

About [4-[[(Z)-4-phenylbut-2-enylidene]amino]phenyl]methanediol

[4-[[(Z)-4-phenylbut-2-enylidene]amino]phenyl]methanediol (PubChem CID 123241914) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is [4-[[(Z)-4-phenylbut-2-enylidene]amino]phenyl]methanediol.

Molecular Properties

Compound Name[4-[[(Z)-4-phenylbut-2-enylidene]amino]phenyl]methanediol
PubChem CID123241914
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name[4-[[(Z)-4-phenylbut-2-enylidene]amino]phenyl]methanediol
SMILESOC(O)c1ccc(/N=C/C=C\Cc2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c19-17(20)15-9-11-16(12-10-15)18-13-5-4-8-14-6-2-1-3-7-14/h1-7,9-13,17,19-20H,8H2/b5-4-,18-13+
InChIKeyXBZWDEKJBQYGPO-YQRNLGRPSA-N
XLogP3.17
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,4-diphenylbut-2-en-1-imine
CID 58165742
6-phenylhexa-2,4-dienylbenzene;titanium
CID 161467723
(4-phenyldiazenylphenyl)methanediol
CID 88611351
(E)-N,N'-diphenylpent-2-ene-1,5-diimine
CID 5473746
carbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+)
CID 173208197
(E)-1,5-diphenylpent-3-en-1-ol
CID 11230156
5-chloropent-2-enylbenzene
CID 79603176
5-bromopenta-2,4-dienylbenzene
CID 71379165
4-phenylpent-2-enylbenzene
CID 72731182
N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine
CID 10726275
4-(4-phenylbut-2-enyl)phenol
CID 66608492
(Z)-3-phenyliminoprop-1-en-1-amine
CID 118014655

Frequently Asked Questions

What is the IUPAC name of [4-[[(Z)-4-phenylbut-2-enylidene]amino]phenyl]methanediol?
The IUPAC name of [4-[[(Z)-4-phenylbut-2-enylidene]amino]phenyl]methanediol (CID 123241914) is [4-[[(Z)-4-phenylbut-2-enylidene]amino]phenyl]methanediol.
What is the SMILES notation for [4-[[(Z)-4-phenylbut-2-enylidene]amino]phenyl]methanediol?
The canonical SMILES for [4-[[(Z)-4-phenylbut-2-enylidene]amino]phenyl]methanediol is OC(O)c1ccc(/N=C/C=C\Cc2ccccc2)cc1.
What is the InChIKey of [4-[[(Z)-4-phenylbut-2-enylidene]amino]phenyl]methanediol?
The InChIKey is XBZWDEKJBQYGPO-YQRNLGRPSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(20)15-9-11-16(12-10-15)18-13-5-4-8-14-6-2-1-3-7-14/h1-7,9-13,17,19-20H,8H2/b5-4-,18-13+.
What are the key properties of [4-[[(Z)-4-phenylbut-2-enylidene]amino]phenyl]methanediol?
[4-[[(Z)-4-phenylbut-2-enylidene]amino]phenyl]methanediol has a molecular weight of 267.33 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(Z)-4-phenylbut-2-enylidene]amino]phenyl]methanediol is sourced from PubChem (CID 123241914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).