1-(cyclohexa-2,4-dien-1-ylidenemethyl)-4-phenylmethoxybenzene

C20H18O — CID 152609738

IUPAC1-(cyclohexa-2,4-dien-1-ylidenemethyl)-4-phenylmethoxybenzene
SMILESC1=CCC(=Cc2ccc(OCc3ccccc3)cc2)C=C1
InChIInChI=1S/C20H18O/c1-3-7-17(8-4-1)15-18-11-13-20(14-12-18)21-16-19-9-5-2-6-10-19/h1-7,9-15H,8,16H2
InChIKeyYZGMGNHAZUEELX-UHFFFAOYSA-N
MW274.36 g/mol
LogP5.17
Rot. Bonds4

About 1-(cyclohexa-2,4-dien-1-ylidenemethyl)-4-phenylmethoxybenzene

1-(cyclohexa-2,4-dien-1-ylidenemethyl)-4-phenylmethoxybenzene (PubChem CID 152609738) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(cyclohexa-2,4-dien-1-ylidenemethyl)-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(cyclohexa-2,4-dien-1-ylidenemethyl)-4-phenylmethoxybenzene
PubChem CID152609738
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name1-(cyclohexa-2,4-dien-1-ylidenemethyl)-4-phenylmethoxybenzene
SMILESC1=CCC(=Cc2ccc(OCc3ccccc3)cc2)C=C1
InChIInChI=1S/C20H18O/c1-3-7-17(8-4-1)15-18-11-13-20(14-12-18)21-16-19-9-5-2-6-10-19/h1-7,9-15H,8,16H2
InChIKeyYZGMGNHAZUEELX-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.36
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2Z,6E)-4-methyl-2,6-bis[(4-phenylmethoxyphenyl)methylidene]cyclohexan-1-one
CID 17386127
8-[(4-phenylmethoxyphenyl)methylidene]-1,4-dioxaspiro[4.5]decane
CID 23150318
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
(5E)-2-methyl-5-[(4-phenylmethoxyphenyl)methylidene]-3H-pyrrol-4-one
CID 6508826
1,3-dimethyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2261786
(4Z)-2-amino-3-methyl-4-[(4-phenylmethoxyphenyl)methylidene]-1H-imidazol-3-ium-5-one
CID 7524169
1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene
CID 53395274
2-(4-phenylmethoxyphenyl)ethenone
CID 175186077
2-methyl-3-(4-phenylmethoxyphenyl)prop-2-enal
CID 54097134
N,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine
CID 118344224
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-2,4-dien-1-ylidenemethyl)-4-phenylmethoxybenzene?
The IUPAC name of 1-(cyclohexa-2,4-dien-1-ylidenemethyl)-4-phenylmethoxybenzene (CID 152609738) is 1-(cyclohexa-2,4-dien-1-ylidenemethyl)-4-phenylmethoxybenzene.
What is the SMILES notation for 1-(cyclohexa-2,4-dien-1-ylidenemethyl)-4-phenylmethoxybenzene?
The canonical SMILES for 1-(cyclohexa-2,4-dien-1-ylidenemethyl)-4-phenylmethoxybenzene is C1=CCC(=Cc2ccc(OCc3ccccc3)cc2)C=C1.
What is the InChIKey of 1-(cyclohexa-2,4-dien-1-ylidenemethyl)-4-phenylmethoxybenzene?
The InChIKey is YZGMGNHAZUEELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O/c1-3-7-17(8-4-1)15-18-11-13-20(14-12-18)21-16-19-9-5-2-6-10-19/h1-7,9-15H,8,16H2.
What are the key properties of 1-(cyclohexa-2,4-dien-1-ylidenemethyl)-4-phenylmethoxybenzene?
1-(cyclohexa-2,4-dien-1-ylidenemethyl)-4-phenylmethoxybenzene has a molecular weight of 274.36 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-2,4-dien-1-ylidenemethyl)-4-phenylmethoxybenzene is sourced from PubChem (CID 152609738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).