3-benzyl-3,4-dihydro-2H-chromene

C16H16O — CID 15331838

IUPAC3-benzyl-3,4-dihydro-2H-chromene
SMILESc1ccc(CC2COc3ccccc3C2)cc1
InChIInChI=1S/C16H16O/c1-2-6-13(7-3-1)10-14-11-15-8-4-5-9-16(15)17-12-14/h1-9,14H,10-12H2
InChIKeyFAZPXZSNQNWJAW-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.48
Rot. Bonds2

About 3-benzyl-3,4-dihydro-2H-chromene

3-benzyl-3,4-dihydro-2H-chromene (PubChem CID 15331838) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-benzyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name3-benzyl-3,4-dihydro-2H-chromene
PubChem CID15331838
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name3-benzyl-3,4-dihydro-2H-chromene
SMILESc1ccc(CC2COc3ccccc3C2)cc1
InChIInChI=1S/C16H16O/c1-2-6-13(7-3-1)10-14-11-15-8-4-5-9-16(15)17-12-14/h1-9,14H,10-12H2
InChIKeyFAZPXZSNQNWJAW-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3,4-dihydro-2H-chromene?
The IUPAC name of 3-benzyl-3,4-dihydro-2H-chromene (CID 15331838) is 3-benzyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 3-benzyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 3-benzyl-3,4-dihydro-2H-chromene is c1ccc(CC2COc3ccccc3C2)cc1.
What is the InChIKey of 3-benzyl-3,4-dihydro-2H-chromene?
The InChIKey is FAZPXZSNQNWJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-2-6-13(7-3-1)10-14-11-15-8-4-5-9-16(15)17-12-14/h1-9,14H,10-12H2.
What are the key properties of 3-benzyl-3,4-dihydro-2H-chromene?
3-benzyl-3,4-dihydro-2H-chromene has a molecular weight of 224.30 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 15331838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).