3-hexa-1,3,5-trienyl-2H-chromene

C15H14O — CID 159435301

IUPAC3-hexa-1,3,5-trienyl-2H-chromene
SMILESC=CC=CC=CC1=Cc2ccccc2OC1
InChIInChI=1S/C15H14O/c1-2-3-4-5-8-13-11-14-9-6-7-10-15(14)16-12-13/h2-11H,1,12H2
InChIKeyLRMSDFFYXYLAGM-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.76
Rot. Bonds3

About 3-hexa-1,3,5-trienyl-2H-chromene

3-hexa-1,3,5-trienyl-2H-chromene (PubChem CID 159435301) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-hexa-1,3,5-trienyl-2H-chromene.

Molecular Properties

Compound Name3-hexa-1,3,5-trienyl-2H-chromene
PubChem CID159435301
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name3-hexa-1,3,5-trienyl-2H-chromene
SMILESC=CC=CC=CC1=Cc2ccccc2OC1
InChIInChI=1S/C15H14O/c1-2-3-4-5-8-13-11-14-9-6-7-10-15(14)16-12-13/h2-11H,1,12H2
InChIKeyLRMSDFFYXYLAGM-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.76
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

Anethole
CID 637563
Coumarin
CID 323
Estragole
CID 8815
Mephenesin
CID 4059
Monobenzone
CID 7638
O-Methoxycinnamaldehyde, (E)-
CID 641298
3-Phenoxybenzyl alcohol
CID 26295
4-Methylanisole
CID 7731
Xanthene
CID 7107
Cresyl glycidyl ether
CID 16606
3-Methoxytoluene
CID 7530
cis-Anethole
CID 1549040

Frequently Asked Questions

What is the IUPAC name of 3-hexa-1,3,5-trienyl-2H-chromene?
The IUPAC name of 3-hexa-1,3,5-trienyl-2H-chromene (CID 159435301) is 3-hexa-1,3,5-trienyl-2H-chromene.
What is the SMILES notation for 3-hexa-1,3,5-trienyl-2H-chromene?
The canonical SMILES for 3-hexa-1,3,5-trienyl-2H-chromene is C=CC=CC=CC1=Cc2ccccc2OC1.
What is the InChIKey of 3-hexa-1,3,5-trienyl-2H-chromene?
The InChIKey is LRMSDFFYXYLAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-2-3-4-5-8-13-11-14-9-6-7-10-15(14)16-12-13/h2-11H,1,12H2.
What are the key properties of 3-hexa-1,3,5-trienyl-2H-chromene?
3-hexa-1,3,5-trienyl-2H-chromene has a molecular weight of 210.28 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexa-1,3,5-trienyl-2H-chromene is sourced from PubChem (CID 159435301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).