4,4-dimethyl-2-phenyl-2,3-dihydrochromene

C17H18O — CID 54282692

IUPAC4,4-dimethyl-2-phenyl-2,3-dihydrochromene
SMILESCC1(C)CC(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C17H18O/c1-17(2)12-16(13-8-4-3-5-9-13)18-15-11-7-6-10-14(15)17/h3-11,16H,12H2,1-2H3
InChIKeyRRXBLOHBPZGMLW-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.49
Rot. Bonds1

About 4,4-dimethyl-2-phenyl-2,3-dihydrochromene

4,4-dimethyl-2-phenyl-2,3-dihydrochromene (PubChem CID 54282692) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4,4-dimethyl-2-phenyl-2,3-dihydrochromene.

Molecular Properties

Compound Name4,4-dimethyl-2-phenyl-2,3-dihydrochromene
PubChem CID54282692
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name4,4-dimethyl-2-phenyl-2,3-dihydrochromene
SMILESCC1(C)CC(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C17H18O/c1-17(2)12-16(13-8-4-3-5-9-13)18-15-11-7-6-10-14(15)17/h3-11,16H,12H2,1-2H3
InChIKeyRRXBLOHBPZGMLW-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-phenyl-2,3-dihydrochromene?
The IUPAC name of 4,4-dimethyl-2-phenyl-2,3-dihydrochromene (CID 54282692) is 4,4-dimethyl-2-phenyl-2,3-dihydrochromene.
What is the SMILES notation for 4,4-dimethyl-2-phenyl-2,3-dihydrochromene?
The canonical SMILES for 4,4-dimethyl-2-phenyl-2,3-dihydrochromene is CC1(C)CC(c2ccccc2)Oc2ccccc21.
What is the InChIKey of 4,4-dimethyl-2-phenyl-2,3-dihydrochromene?
The InChIKey is RRXBLOHBPZGMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-17(2)12-16(13-8-4-3-5-9-13)18-15-11-7-6-10-14(15)17/h3-11,16H,12H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-phenyl-2,3-dihydrochromene?
4,4-dimethyl-2-phenyl-2,3-dihydrochromene has a molecular weight of 238.33 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-phenyl-2,3-dihydrochromene is sourced from PubChem (CID 54282692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).