7-methyl-5,7,7a,8-tetrahydrofuro[3,4-f][1]benzofuran

C11H12O2 — CID 164667271

IUPAC7-methyl-5,7,7a,8-tetrahydrofuro[3,4-f][1]benzofuran
SMILESCC1OCC2=Cc3ccoc3CC21
InChIInChI=1S/C11H12O2/c1-7-10-5-11-8(2-3-12-11)4-9(10)6-13-7/h2-4,7,10H,5-6H2,1H3
InChIKeyWICHVRDXZKYJRL-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.25
Rot. Bonds

About 7-methyl-5,7,7a,8-tetrahydrofuro[3,4-f][1]benzofuran

7-methyl-5,7,7a,8-tetrahydrofuro[3,4-f][1]benzofuran (PubChem CID 164667271) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 7-methyl-5,7,7a,8-tetrahydrofuro[3,4-f][1]benzofuran.

Molecular Properties

Compound Name7-methyl-5,7,7a,8-tetrahydrofuro[3,4-f][1]benzofuran
PubChem CID164667271
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name7-methyl-5,7,7a,8-tetrahydrofuro[3,4-f][1]benzofuran
SMILESCC1OCC2=Cc3ccoc3CC21
InChIInChI=1S/C11H12O2/c1-7-10-5-11-8(2-3-12-11)4-9(10)6-13-7/h2-4,7,10H,5-6H2,1H3
InChIKeyWICHVRDXZKYJRL-UHFFFAOYSA-N
XLogP2.25
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methyl-5,7,7a,8-tetrahydrofuro[3,4-f][1]benzofuran with MolForge

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Related Compounds

(3S,3aS)-3-methyl-1,3,3a,4-tetrahydrocyclopenta[c]furan-5-one
CID 101079048
7-methyl-5,6,7,8-tetrahydrofuro[2,3-d]azepin-4-one
CID 82414662
ethane;4-methyl-4,5,6,7-tetrahydro-1-benzofuran
CID 123540152
4,7-dihydrofuro[2,3-d][1,2]dioxine
CID 10396846
4,6-di(propan-2-yl)-6,7-dihydrofuro[3,2-c]pyridine
CID 177282872
4-methyl-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine
CID 82417304
5-propan-2-yl-1-benzothiophene;5-propan-2-yl-6,7-dihydro-1-benzofuran
CID 177178329
5-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-3-amine
CID 115466824
3,4-dimethyl-3,4-dihydro-1H-isochromene
CID 12794873
2-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid
CID 115467483
2-(4-hydroxy-5-methyl-5,6-dihydrocyclopenta[b]furan-4-yl)acetic acid
CID 112715471
methyl 4-amino-4,5,6,7-tetrahydro-1-benzofuran-6-carboxylate
CID 83915744

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5,7,7a,8-tetrahydrofuro[3,4-f][1]benzofuran?
The IUPAC name of 7-methyl-5,7,7a,8-tetrahydrofuro[3,4-f][1]benzofuran (CID 164667271) is 7-methyl-5,7,7a,8-tetrahydrofuro[3,4-f][1]benzofuran.
What is the SMILES notation for 7-methyl-5,7,7a,8-tetrahydrofuro[3,4-f][1]benzofuran?
The canonical SMILES for 7-methyl-5,7,7a,8-tetrahydrofuro[3,4-f][1]benzofuran is CC1OCC2=Cc3ccoc3CC21.
What is the InChIKey of 7-methyl-5,7,7a,8-tetrahydrofuro[3,4-f][1]benzofuran?
The InChIKey is WICHVRDXZKYJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-7-10-5-11-8(2-3-12-11)4-9(10)6-13-7/h2-4,7,10H,5-6H2,1H3.
What are the key properties of 7-methyl-5,7,7a,8-tetrahydrofuro[3,4-f][1]benzofuran?
7-methyl-5,7,7a,8-tetrahydrofuro[3,4-f][1]benzofuran has a molecular weight of 176.22 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5,7,7a,8-tetrahydrofuro[3,4-f][1]benzofuran is sourced from PubChem (CID 164667271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).