[(Z)-1,2-diphenylethenoxy]methylbenzene

C21H18O — CID 134952285

IUPAC[(Z)-1,2-diphenylethenoxy]methylbenzene
SMILESC(=C(\OCc1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C21H18O/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)22-17-19-12-6-2-7-13-19/h1-16H,17H2/b21-16-
InChIKeySYUDAPIZZXHBOB-PGMHBOJBSA-N
MW286.37 g/mol
LogP5.40
Rot. Bonds5

About [(Z)-1,2-diphenylethenoxy]methylbenzene

[(Z)-1,2-diphenylethenoxy]methylbenzene (PubChem CID 134952285) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is [(Z)-1,2-diphenylethenoxy]methylbenzene.

Molecular Properties

Compound Name[(Z)-1,2-diphenylethenoxy]methylbenzene
PubChem CID134952285
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name[(Z)-1,2-diphenylethenoxy]methylbenzene
SMILESC(=C(\OCc1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C21H18O/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)22-17-19-12-6-2-7-13-19/h1-16H,17H2/b21-16-
InChIKeySYUDAPIZZXHBOB-PGMHBOJBSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate
CID 67768380
ethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate
CID 67768490
4-(1,2-diphenylethenoxy)butan-1-amine
CID 57175242
1-methyl-4-(1-phenylmethoxyprop-1-enyl)benzene
CID 139666701
4-(1,2-diphenylethenoxy)-N,N-dimethylbutan-1-amine
CID 57213266
4-[(Z)-1-phenylmethoxybut-1-enyl]aniline
CID 144763073
(Z,2Z)-2-benzylidene-4-phenyl-3-phenylmethoxycarbonylbut-3-enoic acid
CID 6916903
benzyl benzoate
CID 2345
3-O-benzyl 1-O-methyl (2Z)-2-benzylidenepropanedioate
CID 14168531
tribromo-[(Z)-1,2-diphenylethenoxy]germane
CID 132573464
calcium;(Z,2Z)-2-benzylidene-4-phenyl-3-phenylmethoxycarbonylbut-3-enoate;benzoate
CID 6916902
1,2-diphenylethenyl dihydrogen phosphate
CID 57178972

Frequently Asked Questions

What is the IUPAC name of [(Z)-1,2-diphenylethenoxy]methylbenzene?
The IUPAC name of [(Z)-1,2-diphenylethenoxy]methylbenzene (CID 134952285) is [(Z)-1,2-diphenylethenoxy]methylbenzene.
What is the SMILES notation for [(Z)-1,2-diphenylethenoxy]methylbenzene?
The canonical SMILES for [(Z)-1,2-diphenylethenoxy]methylbenzene is C(=C(\OCc1ccccc1)c1ccccc1)\c1ccccc1.
What is the InChIKey of [(Z)-1,2-diphenylethenoxy]methylbenzene?
The InChIKey is SYUDAPIZZXHBOB-PGMHBOJBSA-N. The full InChI is InChI=1S/C21H18O/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)22-17-19-12-6-2-7-13-19/h1-16H,17H2/b21-16-.
What are the key properties of [(Z)-1,2-diphenylethenoxy]methylbenzene?
[(Z)-1,2-diphenylethenoxy]methylbenzene has a molecular weight of 286.37 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1,2-diphenylethenoxy]methylbenzene is sourced from PubChem (CID 134952285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).