formaldehyde;1-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)ethanone

C21H26O2 — CID 67779673

IUPACformaldehyde;1-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)ethanone
SMILESC=O.CC(=O)c1ccc2cc3c(cc2c1)C(C)(C)CCC3(C)C
InChIInChI=1S/C20H24O.CH2O/c1-13(21)14-6-7-15-11-17-18(12-16(15)10-14)20(4,5)9-8-19(17,2)3;1-2/h6-7,10-12H,8-9H2,1-5H3;1H2
InChIKeyPHYBTELJVSLKNO-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.21
Rot. Bonds1

About formaldehyde;1-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)ethanone

formaldehyde;1-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)ethanone (PubChem CID 67779673) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is formaldehyde;1-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)ethanone.

Molecular Properties

Compound Nameformaldehyde;1-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)ethanone
PubChem CID67779673
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Nameformaldehyde;1-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)ethanone
SMILESC=O.CC(=O)c1ccc2cc3c(cc2c1)C(C)(C)CCC3(C)C
InChIInChI=1S/C20H24O.CH2O/c1-13(21)14-6-7-15-11-17-18(12-16(15)10-14)20(4,5)9-8-19(17,2)3;1-2/h6-7,10-12H,8-9H2,1-5H3;1H2
InChIKeyPHYBTELJVSLKNO-UHFFFAOYSA-N
XLogP5.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze formaldehyde;1-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate
CID 10669381
1-(7-bromonaphthalen-2-yl)ethanone
CID 68758171
1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene
CID 21477505
1-(6-ethenylnaphthalen-2-yl)ethanone
CID 139900374
6-[(Z)-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]naphthalene-2-carboxylic acid
CID 10668711
2-hydroxy-5-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)cyclohepta-2,4,6-trien-1-one
CID 58934325
1-[5,5,8,8-tetramethyl-4-(4-methylphenyl)-6,7-dihydronaphthalen-2-yl]ethanone
CID 67020685
1-(6-tert-butylnaphthalen-2-yl)ethanone
CID 59199741
1,1,4,4-tetramethyl-6-phenyl-2,3-dihydroanthracene
CID 10470919
1-[2-(1-methylcyclopropyl)quinolin-6-yl]ethanone
CID 67105776
1-[6-(dimethylamino)naphthalen-2-yl]ethanone
CID 15333970

Frequently Asked Questions

What is the IUPAC name of formaldehyde;1-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)ethanone?
The IUPAC name of formaldehyde;1-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)ethanone (CID 67779673) is formaldehyde;1-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)ethanone.
What is the SMILES notation for formaldehyde;1-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)ethanone?
The canonical SMILES for formaldehyde;1-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)ethanone is C=O.CC(=O)c1ccc2cc3c(cc2c1)C(C)(C)CCC3(C)C.
What is the InChIKey of formaldehyde;1-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)ethanone?
The InChIKey is PHYBTELJVSLKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O.CH2O/c1-13(21)14-6-7-15-11-17-18(12-16(15)10-14)20(4,5)9-8-19(17,2)3;1-2/h6-7,10-12H,8-9H2,1-5H3;1H2.
What are the key properties of formaldehyde;1-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)ethanone?
formaldehyde;1-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)ethanone has a molecular weight of 310.44 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)ethanone is sourced from PubChem (CID 67779673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).