4-methyl-8,10a-dihydro-5aH-cyclohepta[b][1]benzofuran

C14H14O — CID 178110207

IUPAC4-methyl-8,10a-dihydro-5aH-cyclohepta[b][1]benzofuran
SMILESCc1cccc2c1OC1C=CCC=CC21
InChIInChI=1S/C14H14O/c1-10-6-5-8-12-11-7-3-2-4-9-13(11)15-14(10)12/h3-9,11,13H,2H2,1H3
InChIKeyQKNYMKYLBVTCLS-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.36
Rot. Bonds

About 4-methyl-8,10a-dihydro-5aH-cyclohepta[b][1]benzofuran

4-methyl-8,10a-dihydro-5aH-cyclohepta[b][1]benzofuran (PubChem CID 178110207) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 4-methyl-8,10a-dihydro-5aH-cyclohepta[b][1]benzofuran.

Molecular Properties

Compound Name4-methyl-8,10a-dihydro-5aH-cyclohepta[b][1]benzofuran
PubChem CID178110207
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name4-methyl-8,10a-dihydro-5aH-cyclohepta[b][1]benzofuran
SMILESCc1cccc2c1OC1C=CCC=CC21
InChIInChI=1S/C14H14O/c1-10-6-5-8-12-11-7-3-2-4-9-13(11)15-14(10)12/h3-9,11,13H,2H2,1H3
InChIKeyQKNYMKYLBVTCLS-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8,10a-dihydro-5aH-cyclohepta[b][1]benzofuran?
The IUPAC name of 4-methyl-8,10a-dihydro-5aH-cyclohepta[b][1]benzofuran (CID 178110207) is 4-methyl-8,10a-dihydro-5aH-cyclohepta[b][1]benzofuran.
What is the SMILES notation for 4-methyl-8,10a-dihydro-5aH-cyclohepta[b][1]benzofuran?
The canonical SMILES for 4-methyl-8,10a-dihydro-5aH-cyclohepta[b][1]benzofuran is Cc1cccc2c1OC1C=CCC=CC21.
What is the InChIKey of 4-methyl-8,10a-dihydro-5aH-cyclohepta[b][1]benzofuran?
The InChIKey is QKNYMKYLBVTCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-10-6-5-8-12-11-7-3-2-4-9-13(11)15-14(10)12/h3-9,11,13H,2H2,1H3.
What are the key properties of 4-methyl-8,10a-dihydro-5aH-cyclohepta[b][1]benzofuran?
4-methyl-8,10a-dihydro-5aH-cyclohepta[b][1]benzofuran has a molecular weight of 198.26 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8,10a-dihydro-5aH-cyclohepta[b][1]benzofuran is sourced from PubChem (CID 178110207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).