5a-methyl-6-phenyl-2,8,9,9a-tetrahydro-1H-dibenzofuran

C19H20O — CID 71235187

IUPAC5a-methyl-6-phenyl-2,8,9,9a-tetrahydro-1H-dibenzofuran
SMILESCC12OC3=C(CCC=C3)C1CCC=C2c1ccccc1
InChIInChI=1S/C19H20O/c1-19-16(14-8-3-2-4-9-14)11-7-12-17(19)15-10-5-6-13-18(15)20-19/h2-4,6,8-9,11,13,17H,5,7,10,12H2,1H3
InChIKeyOCKNJOAXDDGDTP-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.87
Rot. Bonds1

About 5a-methyl-6-phenyl-2,8,9,9a-tetrahydro-1H-dibenzofuran

5a-methyl-6-phenyl-2,8,9,9a-tetrahydro-1H-dibenzofuran (PubChem CID 71235187) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5a-methyl-6-phenyl-2,8,9,9a-tetrahydro-1H-dibenzofuran.

Molecular Properties

Compound Name5a-methyl-6-phenyl-2,8,9,9a-tetrahydro-1H-dibenzofuran
PubChem CID71235187
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name5a-methyl-6-phenyl-2,8,9,9a-tetrahydro-1H-dibenzofuran
SMILESCC12OC3=C(CCC=C3)C1CCC=C2c1ccccc1
InChIInChI=1S/C19H20O/c1-19-16(14-8-3-2-4-9-14)11-7-12-17(19)15-10-5-6-13-18(15)20-19/h2-4,6,8-9,11,13,17H,5,7,10,12H2,1H3
InChIKeyOCKNJOAXDDGDTP-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2S,5S)-2,5-dimethyl-1-[(1Z,7Z)-2-phenylcycloocta-1,7-dien-1-yl]phospholane
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(5-methylcyclohexen-1-yl)benzene
CID 56998306
(1S,2R)-3-phenylcyclohex-3-ene-1,2-diol
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(1R)-3-phenylcyclohex-3-en-1-amine
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2-[3-(12b-methyl-4,4a,5,6,11,12-hexahydro-3H-triphenylen-2-yl)cyclohexa-1,3-dien-1-yl]-1-methyl-4,6-diphenyl-1,3,5-triazin-1-ium
CID 170042770
1,3-benzodioxole;2,2-dimethyl-1,3-benzodioxole
CID 21273269
cyclohexa-1,5-dien-1-ylbenzene;methane
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Frequently Asked Questions

What is the IUPAC name of 5a-methyl-6-phenyl-2,8,9,9a-tetrahydro-1H-dibenzofuran?
The IUPAC name of 5a-methyl-6-phenyl-2,8,9,9a-tetrahydro-1H-dibenzofuran (CID 71235187) is 5a-methyl-6-phenyl-2,8,9,9a-tetrahydro-1H-dibenzofuran.
What is the SMILES notation for 5a-methyl-6-phenyl-2,8,9,9a-tetrahydro-1H-dibenzofuran?
The canonical SMILES for 5a-methyl-6-phenyl-2,8,9,9a-tetrahydro-1H-dibenzofuran is CC12OC3=C(CCC=C3)C1CCC=C2c1ccccc1.
What is the InChIKey of 5a-methyl-6-phenyl-2,8,9,9a-tetrahydro-1H-dibenzofuran?
The InChIKey is OCKNJOAXDDGDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-19-16(14-8-3-2-4-9-14)11-7-12-17(19)15-10-5-6-13-18(15)20-19/h2-4,6,8-9,11,13,17H,5,7,10,12H2,1H3.
What are the key properties of 5a-methyl-6-phenyl-2,8,9,9a-tetrahydro-1H-dibenzofuran?
5a-methyl-6-phenyl-2,8,9,9a-tetrahydro-1H-dibenzofuran has a molecular weight of 264.37 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5a-methyl-6-phenyl-2,8,9,9a-tetrahydro-1H-dibenzofuran is sourced from PubChem (CID 71235187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).