4-methyl-10,10a-dihydro-9H-cyclohepta[b][1]benzofuran

C14H14O — CID 143232319

IUPAC4-methyl-10,10a-dihydro-9H-cyclohepta[b][1]benzofuran
SMILESCc1cccc2c1OC1=CC=CCCC12
InChIInChI=1S/C14H14O/c1-10-6-5-8-12-11-7-3-2-4-9-13(11)15-14(10)12/h2,4-6,8-9,11H,3,7H2,1H3
InChIKeyCXQFHWNYWJWZDT-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.70
Rot. Bonds

About 4-methyl-10,10a-dihydro-9H-cyclohepta[b][1]benzofuran

4-methyl-10,10a-dihydro-9H-cyclohepta[b][1]benzofuran (PubChem CID 143232319) has the molecular formula C14H14O and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-methyl-10,10a-dihydro-9H-cyclohepta[b][1]benzofuran.

Molecular Properties

Compound Name4-methyl-10,10a-dihydro-9H-cyclohepta[b][1]benzofuran
PubChem CID143232319
Molecular FormulaC14H14O
Molecular Weight198.27 g/mol
Exact Mass198.10
IUPAC Name4-methyl-10,10a-dihydro-9H-cyclohepta[b][1]benzofuran
SMILESCc1cccc2c1OC1=CC=CCCC12
InChIInChI=1S/C14H14O/c1-10-6-5-8-12-11-7-3-2-4-9-13(11)15-14(10)12/h2,4-6,8-9,11H,3,7H2,1H3
InChIKeyCXQFHWNYWJWZDT-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-10,10a-dihydro-9H-cyclohepta[b][1]benzofuran?
The IUPAC name of 4-methyl-10,10a-dihydro-9H-cyclohepta[b][1]benzofuran (CID 143232319) is 4-methyl-10,10a-dihydro-9H-cyclohepta[b][1]benzofuran.
What is the SMILES notation for 4-methyl-10,10a-dihydro-9H-cyclohepta[b][1]benzofuran?
The canonical SMILES for 4-methyl-10,10a-dihydro-9H-cyclohepta[b][1]benzofuran is Cc1cccc2c1OC1=CC=CCCC12.
What is the InChIKey of 4-methyl-10,10a-dihydro-9H-cyclohepta[b][1]benzofuran?
The InChIKey is CXQFHWNYWJWZDT-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/h2,4-6,8-9,11H,3,7H2,1H3.
What are the key properties of 4-methyl-10,10a-dihydro-9H-cyclohepta[b][1]benzofuran?
4-methyl-10,10a-dihydro-9H-cyclohepta[b][1]benzofuran has a molecular weight of 198.27 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-10,10a-dihydro-9H-cyclohepta[b][1]benzofuran is sourced from PubChem (CID 143232319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).