3-[(2E,4Z)-2-methylhexa-2,4-dienyl]-3,4-dihydro-2H-chromene

C16H20O — CID 146274063

IUPAC3-[(2E,4Z)-2-methylhexa-2,4-dienyl]-3,4-dihydro-2H-chromene
SMILESC/C=C\C=C(/C)CC1COc2ccccc2C1
InChIInChI=1S/C16H20O/c1-3-4-7-13(2)10-14-11-15-8-5-6-9-16(15)17-12-14/h3-9,14H,10-12H2,1-2H3/b4-3-,13-7+
InChIKeyUGYPQGYDICEWMZ-XYJZBGMCSA-N
MW228.34 g/mol
LogP4.15
Rot. Bonds3

About 3-[(2E,4Z)-2-methylhexa-2,4-dienyl]-3,4-dihydro-2H-chromene

3-[(2E,4Z)-2-methylhexa-2,4-dienyl]-3,4-dihydro-2H-chromene (PubChem CID 146274063) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[(2E,4Z)-2-methylhexa-2,4-dienyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name3-[(2E,4Z)-2-methylhexa-2,4-dienyl]-3,4-dihydro-2H-chromene
PubChem CID146274063
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name3-[(2E,4Z)-2-methylhexa-2,4-dienyl]-3,4-dihydro-2H-chromene
SMILESC/C=C\C=C(/C)CC1COc2ccccc2C1
InChIInChI=1S/C16H20O/c1-3-4-7-13(2)10-14-11-15-8-5-6-9-16(15)17-12-14/h3-9,14H,10-12H2,1-2H3/b4-3-,13-7+
InChIKeyUGYPQGYDICEWMZ-XYJZBGMCSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.15
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

(2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide
CID 47143635
2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride
CID 142636452
2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde
CID 142734505
2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate
CID 142636437
3,4-dihydro-2H-chromen-3-ylmethylhydrazine
CID 63589103
2,3-dihydro-1,4-benzodioxin-3-ylmethanol;ethane;3-ethyl-3,4-dihydro-2H-chromene;methane
CID 159685648
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 143328433
3,4-dihydro-2H-chromen-3-ylmethyl hydrogen sulfite
CID 91592911
3-pent-4-enyl-3,4-dihydro-2H-chromene
CID 163719188
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine
CID 97125876
1-[6-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]ethanone
CID 97142947

Frequently Asked Questions

What is the IUPAC name of 3-[(2E,4Z)-2-methylhexa-2,4-dienyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 3-[(2E,4Z)-2-methylhexa-2,4-dienyl]-3,4-dihydro-2H-chromene (CID 146274063) is 3-[(2E,4Z)-2-methylhexa-2,4-dienyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 3-[(2E,4Z)-2-methylhexa-2,4-dienyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 3-[(2E,4Z)-2-methylhexa-2,4-dienyl]-3,4-dihydro-2H-chromene is C/C=C\C=C(/C)CC1COc2ccccc2C1.
What is the InChIKey of 3-[(2E,4Z)-2-methylhexa-2,4-dienyl]-3,4-dihydro-2H-chromene?
The InChIKey is UGYPQGYDICEWMZ-XYJZBGMCSA-N. The full InChI is InChI=1S/C16H20O/c1-3-4-7-13(2)10-14-11-15-8-5-6-9-16(15)17-12-14/h3-9,14H,10-12H2,1-2H3/b4-3-,13-7+.
What are the key properties of 3-[(2E,4Z)-2-methylhexa-2,4-dienyl]-3,4-dihydro-2H-chromene?
3-[(2E,4Z)-2-methylhexa-2,4-dienyl]-3,4-dihydro-2H-chromene has a molecular weight of 228.34 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,4Z)-2-methylhexa-2,4-dienyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 146274063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).