3-pent-4-enyl-3,4-dihydro-2H-chromene

C14H18O — CID 163719188

IUPAC3-pent-4-enyl-3,4-dihydro-2H-chromene
SMILESC=CCCCC1COc2ccccc2C1
InChIInChI=1S/C14H18O/c1-2-3-4-7-12-10-13-8-5-6-9-14(13)15-11-12/h2,5-6,8-9,12H,1,3-4,7,10-11H2
InChIKeyKQALZEMDMNMLRB-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.59
Rot. Bonds4

About 3-pent-4-enyl-3,4-dihydro-2H-chromene

3-pent-4-enyl-3,4-dihydro-2H-chromene (PubChem CID 163719188) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-pent-4-enyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name3-pent-4-enyl-3,4-dihydro-2H-chromene
PubChem CID163719188
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name3-pent-4-enyl-3,4-dihydro-2H-chromene
SMILESC=CCCCC1COc2ccccc2C1
InChIInChI=1S/C14H18O/c1-2-3-4-7-12-10-13-8-5-6-9-14(13)15-11-12/h2,5-6,8-9,12H,1,3-4,7,10-11H2
InChIKeyKQALZEMDMNMLRB-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 143328433
10-(3,4-dihydro-2H-chromen-3-yl)decanoic acid
CID 150575494
2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde
CID 142734505
3,4-dihydro-2H-chromen-3-ylmethylhydrazine
CID 63589103
2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride
CID 142636452
2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine
CID 97125876
3-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]propanoic acid
CID 15027459
3-(3,4-dihydro-2H-chromen-3-ylmethyl)pyridine
CID 72893239
3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,2-dimethyl-1H-azete
CID 143711024
3,4-dihydro-2H-chromen-3-ylmethyl hydrogen sulfite
CID 91592911
1-(3,4-dihydro-2H-chromen-3-yl)but-3-enylhydrazine
CID 105234005
3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,6-dimethylpyridine
CID 72872119

Frequently Asked Questions

What is the IUPAC name of 3-pent-4-enyl-3,4-dihydro-2H-chromene?
The IUPAC name of 3-pent-4-enyl-3,4-dihydro-2H-chromene (CID 163719188) is 3-pent-4-enyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 3-pent-4-enyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 3-pent-4-enyl-3,4-dihydro-2H-chromene is C=CCCCC1COc2ccccc2C1.
What is the InChIKey of 3-pent-4-enyl-3,4-dihydro-2H-chromene?
The InChIKey is KQALZEMDMNMLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-2-3-4-7-12-10-13-8-5-6-9-14(13)15-11-12/h2,5-6,8-9,12H,1,3-4,7,10-11H2.
What are the key properties of 3-pent-4-enyl-3,4-dihydro-2H-chromene?
3-pent-4-enyl-3,4-dihydro-2H-chromene has a molecular weight of 202.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-enyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 163719188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).