(1-methoxy-2-methylidene-1-phenylhexa-3,5-dienyl)benzene

C20H20O — CID 123268575

IUPAC(1-methoxy-2-methylidene-1-phenylhexa-3,5-dienyl)benzene
SMILESC=CC=CC(=C)C(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20O/c1-4-5-12-17(2)20(21-3,18-13-8-6-9-14-18)19-15-10-7-11-16-19/h4-16H,1-2H2,3H3
InChIKeyNMEGDPOMNSHHLI-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.88
Rot. Bonds6

About (1-methoxy-2-methylidene-1-phenylhexa-3,5-dienyl)benzene

(1-methoxy-2-methylidene-1-phenylhexa-3,5-dienyl)benzene (PubChem CID 123268575) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is (1-methoxy-2-methylidene-1-phenylhexa-3,5-dienyl)benzene.

Molecular Properties

Compound Name(1-methoxy-2-methylidene-1-phenylhexa-3,5-dienyl)benzene
PubChem CID123268575
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name(1-methoxy-2-methylidene-1-phenylhexa-3,5-dienyl)benzene
SMILESC=CC=CC(=C)C(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20O/c1-4-5-12-17(2)20(21-3,18-13-8-6-9-14-18)19-15-10-7-11-16-19/h4-16H,1-2H2,3H3
InChIKeyNMEGDPOMNSHHLI-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene
CID 144915066
6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 72571250
2-[(3Z)-2-methylidene-1,1-diphenylhexa-3,5-dienyl]sulfanylethanamine
CID 143864098
[(3E,4Z)-3-ethylidene-1,1,1-trifluoro-2-(trifluoromethyl)hepta-4,6-dien-2-yl]benzene
CID 126625678
ethane;[(3E,4Z)-3-ethylidene-1,1,1-trifluoro-2-(trifluoromethyl)hepta-4,6-dien-2-yl]benzene
CID 143793205
(4Z)-2-methyl-N-(3-methylbutyl)-3-methylidene-2-phenylhepta-4,6-dienamide
CID 156877847
[(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene
CID 89247777
(4Z)-2-methyl-N-(3-methylbutyl)-3-methylidene-2-phenylhepta-4,6-dienamide;2-methylpropane
CID 156877846
(3,5-dimethylidene-4-phenylhepta-1,6-dien-4-yl)benzene
CID 155685834
[(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene
CID 143291688
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
3-ethylidenehepta-4,6-dien-2-ylbenzene
CID 123397976

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-2-methylidene-1-phenylhexa-3,5-dienyl)benzene?
The IUPAC name of (1-methoxy-2-methylidene-1-phenylhexa-3,5-dienyl)benzene (CID 123268575) is (1-methoxy-2-methylidene-1-phenylhexa-3,5-dienyl)benzene.
What is the SMILES notation for (1-methoxy-2-methylidene-1-phenylhexa-3,5-dienyl)benzene?
The canonical SMILES for (1-methoxy-2-methylidene-1-phenylhexa-3,5-dienyl)benzene is C=CC=CC(=C)C(OC)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-methoxy-2-methylidene-1-phenylhexa-3,5-dienyl)benzene?
The InChIKey is NMEGDPOMNSHHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-4-5-12-17(2)20(21-3,18-13-8-6-9-14-18)19-15-10-7-11-16-19/h4-16H,1-2H2,3H3.
What are the key properties of (1-methoxy-2-methylidene-1-phenylhexa-3,5-dienyl)benzene?
(1-methoxy-2-methylidene-1-phenylhexa-3,5-dienyl)benzene has a molecular weight of 276.38 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-2-methylidene-1-phenylhexa-3,5-dienyl)benzene is sourced from PubChem (CID 123268575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).