3-benzyl-2-ethyl-2H-chromene

C18H18O — CID 13045520

IUPAC3-benzyl-2-ethyl-2H-chromene
SMILESCCC1Oc2ccccc2C=C1Cc1ccccc1
InChIInChI=1S/C18H18O/c1-2-17-16(12-14-8-4-3-5-9-14)13-15-10-6-7-11-18(15)19-17/h3-11,13,17H,2,12H2,1H3
InChIKeyAEIJQSBWPRKRLW-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.48
Rot. Bonds3

About 3-benzyl-2-ethyl-2H-chromene

3-benzyl-2-ethyl-2H-chromene (PubChem CID 13045520) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-benzyl-2-ethyl-2H-chromene.

Molecular Properties

Compound Name3-benzyl-2-ethyl-2H-chromene
PubChem CID13045520
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name3-benzyl-2-ethyl-2H-chromene
SMILESCCC1Oc2ccccc2C=C1Cc1ccccc1
InChIInChI=1S/C18H18O/c1-2-17-16(12-14-8-4-3-5-9-14)13-15-10-6-7-11-18(15)19-17/h3-11,13,17H,2,12H2,1H3
InChIKeyAEIJQSBWPRKRLW-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-propyl-2H-chromene-2-carboxylic acid
CID 90834932
2-undecyl-2H-chromene-3-carbaldehyde
CID 18185237
2-(2-aminoethyl)-3-benzyl-2H-furan-5-one
CID 149252904
2-benzylcycloprop-2-en-1-ol
CID 18539682
ethyl 3-(hydroxymethyl)-2H-chromene-2-carboxylate
CID 67521184
3-[(1E,3E)-3-methylpenta-1,3-dienyl]-2-pentyl-2H-chromene
CID 141030772
(2R)-2-methyl-2H-chromene-3-carbaldehyde
CID 907604
benzylbenzene;propane;toluene
CID 90753545
2,5-dibenzylbicyclo[2.2.1]hepta-2,5-diene
CID 72751281
phenyl(113C)methylbenzene
CID 11194569
3-methyl-5-(2-nonyl-2H-chromen-3-yl)penta-2,4-dienoic acid
CID 72957807
[(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium
CID 87871084

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-ethyl-2H-chromene?
The IUPAC name of 3-benzyl-2-ethyl-2H-chromene (CID 13045520) is 3-benzyl-2-ethyl-2H-chromene.
What is the SMILES notation for 3-benzyl-2-ethyl-2H-chromene?
The canonical SMILES for 3-benzyl-2-ethyl-2H-chromene is CCC1Oc2ccccc2C=C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-ethyl-2H-chromene?
The InChIKey is AEIJQSBWPRKRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-2-17-16(12-14-8-4-3-5-9-14)13-15-10-6-7-11-18(15)19-17/h3-11,13,17H,2,12H2,1H3.
What are the key properties of 3-benzyl-2-ethyl-2H-chromene?
3-benzyl-2-ethyl-2H-chromene has a molecular weight of 250.34 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-ethyl-2H-chromene is sourced from PubChem (CID 13045520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).