4-(2,4,4-trimethyl-3H-chromen-2-yl)cyclohexa-2,4-dien-1-one

C18H20O2 — CID 23614951

IUPAC4-(2,4,4-trimethyl-3H-chromen-2-yl)cyclohexa-2,4-dien-1-one
SMILESCC1(C2=CCC(=O)C=C2)CC(C)(C)c2ccccc2O1
InChIInChI=1S/C18H20O2/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)20-16-7-5-4-6-15(16)17/h4-10H,11-12H2,1-3H3
InChIKeyWEUZQLAURBONAJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.96
Rot. Bonds1

About 4-(2,4,4-trimethyl-3H-chromen-2-yl)cyclohexa-2,4-dien-1-one

4-(2,4,4-trimethyl-3H-chromen-2-yl)cyclohexa-2,4-dien-1-one (PubChem CID 23614951) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(2,4,4-trimethyl-3H-chromen-2-yl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name4-(2,4,4-trimethyl-3H-chromen-2-yl)cyclohexa-2,4-dien-1-one
PubChem CID23614951
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-(2,4,4-trimethyl-3H-chromen-2-yl)cyclohexa-2,4-dien-1-one
SMILESCC1(C2=CCC(=O)C=C2)CC(C)(C)c2ccccc2O1
InChIInChI=1S/C18H20O2/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)20-16-7-5-4-6-15(16)17/h4-10H,11-12H2,1-3H3
InChIKeyWEUZQLAURBONAJ-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4,4-trimethyl-3H-chromen-2-yl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 4-(2,4,4-trimethyl-3H-chromen-2-yl)cyclohexa-2,4-dien-1-one (CID 23614951) is 4-(2,4,4-trimethyl-3H-chromen-2-yl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 4-(2,4,4-trimethyl-3H-chromen-2-yl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 4-(2,4,4-trimethyl-3H-chromen-2-yl)cyclohexa-2,4-dien-1-one is CC1(C2=CCC(=O)C=C2)CC(C)(C)c2ccccc2O1.
What is the InChIKey of 4-(2,4,4-trimethyl-3H-chromen-2-yl)cyclohexa-2,4-dien-1-one?
The InChIKey is WEUZQLAURBONAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)20-16-7-5-4-6-15(16)17/h4-10H,11-12H2,1-3H3.
What are the key properties of 4-(2,4,4-trimethyl-3H-chromen-2-yl)cyclohexa-2,4-dien-1-one?
4-(2,4,4-trimethyl-3H-chromen-2-yl)cyclohexa-2,4-dien-1-one has a molecular weight of 268.36 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,4-trimethyl-3H-chromen-2-yl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 23614951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).