6-benzyl-2,2-dimethyl-3,4-dihydrochromene

C18H20O — CID 16729493

IUPAC6-benzyl-2,2-dimethyl-3,4-dihydrochromene
SMILESCC1(C)CCc2cc(Cc3ccccc3)ccc2O1
InChIInChI=1S/C18H20O/c1-18(2)11-10-16-13-15(8-9-17(16)19-18)12-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3
InChIKeyVPBXKYJXYLEVBM-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.38
Rot. Bonds2

About 6-benzyl-2,2-dimethyl-3,4-dihydrochromene

6-benzyl-2,2-dimethyl-3,4-dihydrochromene (PubChem CID 16729493) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 6-benzyl-2,2-dimethyl-3,4-dihydrochromene.

Molecular Properties

Compound Name6-benzyl-2,2-dimethyl-3,4-dihydrochromene
PubChem CID16729493
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name6-benzyl-2,2-dimethyl-3,4-dihydrochromene
SMILESCC1(C)CCc2cc(Cc3ccccc3)ccc2O1
InChIInChI=1S/C18H20O/c1-18(2)11-10-16-13-15(8-9-17(16)19-18)12-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3
InChIKeyVPBXKYJXYLEVBM-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2,2-dimethyl-3,4-dihydrochromene?
The IUPAC name of 6-benzyl-2,2-dimethyl-3,4-dihydrochromene (CID 16729493) is 6-benzyl-2,2-dimethyl-3,4-dihydrochromene.
What is the SMILES notation for 6-benzyl-2,2-dimethyl-3,4-dihydrochromene?
The canonical SMILES for 6-benzyl-2,2-dimethyl-3,4-dihydrochromene is CC1(C)CCc2cc(Cc3ccccc3)ccc2O1.
What is the InChIKey of 6-benzyl-2,2-dimethyl-3,4-dihydrochromene?
The InChIKey is VPBXKYJXYLEVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-18(2)11-10-16-13-15(8-9-17(16)19-18)12-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3.
What are the key properties of 6-benzyl-2,2-dimethyl-3,4-dihydrochromene?
6-benzyl-2,2-dimethyl-3,4-dihydrochromene has a molecular weight of 252.36 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2,2-dimethyl-3,4-dihydrochromene is sourced from PubChem (CID 16729493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).