4a,8,9,9b-tetrahydrodibenzofuran-2-yl-(1-methylcyclohexa-2,4-dien-1-yl)methanone

C20H20O2 — CID 123995274

IUPAC4a,8,9,9b-tetrahydrodibenzofuran-2-yl-(1-methylcyclohexa-2,4-dien-1-yl)methanone
SMILESCC1(C(=O)C2=CC3C4=C(C=CCC4)OC3C=C2)C=CC=CC1
InChIInChI=1S/C20H20O2/c1-20(11-5-2-6-12-20)19(21)14-9-10-18-16(13-14)15-7-3-4-8-17(15)22-18/h2,4-6,8-11,13,16,18H,3,7,12H2,1H3
InChIKeyJYTDNYMZYQUFPY-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.19
Rot. Bonds2

About 4a,8,9,9b-tetrahydrodibenzofuran-2-yl-(1-methylcyclohexa-2,4-dien-1-yl)methanone

4a,8,9,9b-tetrahydrodibenzofuran-2-yl-(1-methylcyclohexa-2,4-dien-1-yl)methanone (PubChem CID 123995274) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4a,8,9,9b-tetrahydrodibenzofuran-2-yl-(1-methylcyclohexa-2,4-dien-1-yl)methanone.

Molecular Properties

Compound Name4a,8,9,9b-tetrahydrodibenzofuran-2-yl-(1-methylcyclohexa-2,4-dien-1-yl)methanone
PubChem CID123995274
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name4a,8,9,9b-tetrahydrodibenzofuran-2-yl-(1-methylcyclohexa-2,4-dien-1-yl)methanone
SMILESCC1(C(=O)C2=CC3C4=C(C=CCC4)OC3C=C2)C=CC=CC1
InChIInChI=1S/C20H20O2/c1-20(11-5-2-6-12-20)19(21)14-9-10-18-16(13-14)15-7-3-4-8-17(15)22-18/h2,4-6,8-11,13,16,18H,3,7,12H2,1H3
InChIKeyJYTDNYMZYQUFPY-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4a,8,9,9b-tetrahydrodibenzofuran-2-yl-(1-methylcyclohexa-2,4-dien-1-yl)methanone?
The IUPAC name of 4a,8,9,9b-tetrahydrodibenzofuran-2-yl-(1-methylcyclohexa-2,4-dien-1-yl)methanone (CID 123995274) is 4a,8,9,9b-tetrahydrodibenzofuran-2-yl-(1-methylcyclohexa-2,4-dien-1-yl)methanone.
What is the SMILES notation for 4a,8,9,9b-tetrahydrodibenzofuran-2-yl-(1-methylcyclohexa-2,4-dien-1-yl)methanone?
The canonical SMILES for 4a,8,9,9b-tetrahydrodibenzofuran-2-yl-(1-methylcyclohexa-2,4-dien-1-yl)methanone is CC1(C(=O)C2=CC3C4=C(C=CCC4)OC3C=C2)C=CC=CC1.
What is the InChIKey of 4a,8,9,9b-tetrahydrodibenzofuran-2-yl-(1-methylcyclohexa-2,4-dien-1-yl)methanone?
The InChIKey is JYTDNYMZYQUFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-20(11-5-2-6-12-20)19(21)14-9-10-18-16(13-14)15-7-3-4-8-17(15)22-18/h2,4-6,8-11,13,16,18H,3,7,12H2,1H3.
What are the key properties of 4a,8,9,9b-tetrahydrodibenzofuran-2-yl-(1-methylcyclohexa-2,4-dien-1-yl)methanone?
4a,8,9,9b-tetrahydrodibenzofuran-2-yl-(1-methylcyclohexa-2,4-dien-1-yl)methanone has a molecular weight of 292.38 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8,9,9b-tetrahydrodibenzofuran-2-yl-(1-methylcyclohexa-2,4-dien-1-yl)methanone is sourced from PubChem (CID 123995274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).