3,7-dimethyl-3a,7a-dihydro-1-benzofuran

C10H12O — CID 59903790

IUPAC3,7-dimethyl-3a,7a-dihydro-1-benzofuran
SMILESCC1=COC2C(C)=CC=CC12
InChIInChI=1S/C10H12O/c1-7-4-3-5-9-8(2)6-11-10(7)9/h3-6,9-10H,1-2H3
InChIKeySNWBKFJRVDYDAD-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.42
Rot. Bonds

About 3,7-dimethyl-3a,7a-dihydro-1-benzofuran

3,7-dimethyl-3a,7a-dihydro-1-benzofuran (PubChem CID 59903790) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 3,7-dimethyl-3a,7a-dihydro-1-benzofuran.

Molecular Properties

Compound Name3,7-dimethyl-3a,7a-dihydro-1-benzofuran
PubChem CID59903790
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name3,7-dimethyl-3a,7a-dihydro-1-benzofuran
SMILESCC1=COC2C(C)=CC=CC12
InChIInChI=1S/C10H12O/c1-7-4-3-5-9-8(2)6-11-10(7)9/h3-6,9-10H,1-2H3
InChIKeySNWBKFJRVDYDAD-UHFFFAOYSA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-3a,7a-dihydro-1-benzofuran?
The IUPAC name of 3,7-dimethyl-3a,7a-dihydro-1-benzofuran (CID 59903790) is 3,7-dimethyl-3a,7a-dihydro-1-benzofuran.
What is the SMILES notation for 3,7-dimethyl-3a,7a-dihydro-1-benzofuran?
The canonical SMILES for 3,7-dimethyl-3a,7a-dihydro-1-benzofuran is CC1=COC2C(C)=CC=CC12.
What is the InChIKey of 3,7-dimethyl-3a,7a-dihydro-1-benzofuran?
The InChIKey is SNWBKFJRVDYDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-7-4-3-5-9-8(2)6-11-10(7)9/h3-6,9-10H,1-2H3.
What are the key properties of 3,7-dimethyl-3a,7a-dihydro-1-benzofuran?
3,7-dimethyl-3a,7a-dihydro-1-benzofuran has a molecular weight of 148.20 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-3a,7a-dihydro-1-benzofuran is sourced from PubChem (CID 59903790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).