3-methyl-2-phenyl-2,3,3a,4-tetrahydro-1-benzofuran

C15H16O — CID 146679888

IUPAC3-methyl-2-phenyl-2,3,3a,4-tetrahydro-1-benzofuran
SMILESCC1C2CC=CC=C2OC1c1ccccc1
InChIInChI=1S/C15H16O/c1-11-13-9-5-6-10-14(13)16-15(11)12-7-3-2-4-8-12/h2-8,10-11,13,15H,9H2,1H3
InChIKeyVSYWFBPMUFRMFC-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.85
Rot. Bonds1

About 3-methyl-2-phenyl-2,3,3a,4-tetrahydro-1-benzofuran

3-methyl-2-phenyl-2,3,3a,4-tetrahydro-1-benzofuran (PubChem CID 146679888) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-methyl-2-phenyl-2,3,3a,4-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name3-methyl-2-phenyl-2,3,3a,4-tetrahydro-1-benzofuran
PubChem CID146679888
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name3-methyl-2-phenyl-2,3,3a,4-tetrahydro-1-benzofuran
SMILESCC1C2CC=CC=C2OC1c1ccccc1
InChIInChI=1S/C15H16O/c1-11-13-9-5-6-10-14(13)16-15(11)12-7-3-2-4-8-12/h2-8,10-11,13,15H,9H2,1H3
InChIKeyVSYWFBPMUFRMFC-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-phenyl-4a,5-dihydrochromene-3,4-dione
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(2R,3S)-2-methyl-3-phenyloxirane
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(2R)-2-methyl-3-phenyloxirane
CID 12040001
(2S)-2,5-dimethyl-3-phenyloxolane
CID 59883452
1,2,3,4,4a,4b,5,9a-octahydro-[1]benzofuro[2,3-c]pyridine;1,1-difluoroethane
CID 67324301
3-(4-oxo-2-phenyl-2,3,4a,5-tetrahydrochromen-3-yl)-2-phenylchromen-4-one
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[(1R,3S)-2,3-dimethylcyclobutyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-2,3,3a,4-tetrahydro-1-benzofuran?
The IUPAC name of 3-methyl-2-phenyl-2,3,3a,4-tetrahydro-1-benzofuran (CID 146679888) is 3-methyl-2-phenyl-2,3,3a,4-tetrahydro-1-benzofuran.
What is the SMILES notation for 3-methyl-2-phenyl-2,3,3a,4-tetrahydro-1-benzofuran?
The canonical SMILES for 3-methyl-2-phenyl-2,3,3a,4-tetrahydro-1-benzofuran is CC1C2CC=CC=C2OC1c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-2,3,3a,4-tetrahydro-1-benzofuran?
The InChIKey is VSYWFBPMUFRMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-11-13-9-5-6-10-14(13)16-15(11)12-7-3-2-4-8-12/h2-8,10-11,13,15H,9H2,1H3.
What are the key properties of 3-methyl-2-phenyl-2,3,3a,4-tetrahydro-1-benzofuran?
3-methyl-2-phenyl-2,3,3a,4-tetrahydro-1-benzofuran has a molecular weight of 212.29 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-2,3,3a,4-tetrahydro-1-benzofuran is sourced from PubChem (CID 146679888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).