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

C30H28O2 — CID 157336431

IUPAC2-phenyl-3,4-dihydro-2H-chromene
SMILESc1ccc(C2CCc3ccccc3O2)cc1.c1ccc(C2CCc3ccccc3O2)cc1
InChIInChI=1S/2C15H14O/c2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h2*1-9,15H,10-11H2
InChIKeyBFWWFJGFAIZYNV-UHFFFAOYSA-N
MW420.55 g/mol
LogP7.51
Rot. Bonds2

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

2-phenyl-3,4-dihydro-2H-chromene (PubChem CID 157336431) has the molecular formula C30H28O2 and a molecular weight of 420.55 g/mol. Its IUPAC name is 2-phenyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-phenyl-3,4-dihydro-2H-chromene
PubChem CID157336431
Molecular FormulaC30H28O2
Molecular Weight420.55 g/mol
Exact Mass420.21
IUPAC Name2-phenyl-3,4-dihydro-2H-chromene
SMILESc1ccc(C2CCc3ccccc3O2)cc1.c1ccc(C2CCc3ccccc3O2)cc1
InChIInChI=1S/2C15H14O/c2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h2*1-9,15H,10-11H2
InChIKeyBFWWFJGFAIZYNV-UHFFFAOYSA-N
XLogP7.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[3-(3,4-dihydro-2H-chromen-2-yl)phenyl] dihydrogen phosphate
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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3,4-dihydro-2H-chromene?
The IUPAC name of 2-phenyl-3,4-dihydro-2H-chromene (CID 157336431) is 2-phenyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-phenyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-phenyl-3,4-dihydro-2H-chromene is c1ccc(C2CCc3ccccc3O2)cc1.c1ccc(C2CCc3ccccc3O2)cc1.
What is the InChIKey of 2-phenyl-3,4-dihydro-2H-chromene?
The InChIKey is BFWWFJGFAIZYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H14O/c2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h2*1-9,15H,10-11H2.
What are the key properties of 2-phenyl-3,4-dihydro-2H-chromene?
2-phenyl-3,4-dihydro-2H-chromene has a molecular weight of 420.55 g/mol, XLogP of 7.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 157336431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).