2,3,3,4,4-pentamethyl-2-phenylchromene

C20H24O — CID 57198131

IUPAC2,3,3,4,4-pentamethyl-2-phenylchromene
SMILESCC1(C)c2ccccc2OC(C)(c2ccccc2)C1(C)C
InChIInChI=1S/C20H24O/c1-18(2)16-13-9-10-14-17(16)21-20(5,19(18,3)4)15-11-7-6-8-12-15/h6-14H,1-5H3
InChIKeySKIXNJKUPDUBCP-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.30
Rot. Bonds1

About 2,3,3,4,4-pentamethyl-2-phenylchromene

2,3,3,4,4-pentamethyl-2-phenylchromene (PubChem CID 57198131) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 2,3,3,4,4-pentamethyl-2-phenylchromene.

Molecular Properties

Compound Name2,3,3,4,4-pentamethyl-2-phenylchromene
PubChem CID57198131
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name2,3,3,4,4-pentamethyl-2-phenylchromene
SMILESCC1(C)c2ccccc2OC(C)(c2ccccc2)C1(C)C
InChIInChI=1S/C20H24O/c1-18(2)16-13-9-10-14-17(16)21-20(5,19(18,3)4)15-11-7-6-8-12-15/h6-14H,1-5H3
InChIKeySKIXNJKUPDUBCP-UHFFFAOYSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4-pentamethyl-2-phenylchromene?
The IUPAC name of 2,3,3,4,4-pentamethyl-2-phenylchromene (CID 57198131) is 2,3,3,4,4-pentamethyl-2-phenylchromene.
What is the SMILES notation for 2,3,3,4,4-pentamethyl-2-phenylchromene?
The canonical SMILES for 2,3,3,4,4-pentamethyl-2-phenylchromene is CC1(C)c2ccccc2OC(C)(c2ccccc2)C1(C)C.
What is the InChIKey of 2,3,3,4,4-pentamethyl-2-phenylchromene?
The InChIKey is SKIXNJKUPDUBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-18(2)16-13-9-10-14-17(16)21-20(5,19(18,3)4)15-11-7-6-8-12-15/h6-14H,1-5H3.
What are the key properties of 2,3,3,4,4-pentamethyl-2-phenylchromene?
2,3,3,4,4-pentamethyl-2-phenylchromene has a molecular weight of 280.41 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4-pentamethyl-2-phenylchromene is sourced from PubChem (CID 57198131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).