(3aS,7aR)-3a,7a-dihydro-1-benzofuran

C8H8O — CID 123323212

IUPAC(3aS,7aR)-3a,7a-dihydro-1-benzofuran
SMILESC1=C[C@H]2C=CO[C@@H]2C=C1
InChIInChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-8H/t7-,8+/m0/s1
InChIKeyGWBSVOPPSNSUGB-JGVFFNPUSA-N
MW120.15 g/mol
LogP1.64
Rot. Bonds

About (3aS,7aR)-3a,7a-dihydro-1-benzofuran

(3aS,7aR)-3a,7a-dihydro-1-benzofuran (PubChem CID 123323212) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is (3aS,7aR)-3a,7a-dihydro-1-benzofuran.

Molecular Properties

Compound Name(3aS,7aR)-3a,7a-dihydro-1-benzofuran
PubChem CID123323212
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Name(3aS,7aR)-3a,7a-dihydro-1-benzofuran
SMILESC1=C[C@H]2C=CO[C@@H]2C=C1
InChIInChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-8H/t7-,8+/m0/s1
InChIKeyGWBSVOPPSNSUGB-JGVFFNPUSA-N
XLogP1.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzo[b]pyran
CID 18378161
7,7a-Dihydrobenzofuran
CID 19744327
(1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,9,11,13,15-heptaene
CID 54156978
i-Propyl-Oxin
CID 58503066
t-Butylpyran
CID 59346845
Cyclopentabenzofuran
CID 87131369
Cyclopentachromene
CID 87622378
Indenobenzofuran
CID 88598125
Cyclopenta-[g]-benzo pyrane
CID 89428281
Cyclopropyl-pyran
CID 129675812
Indeno[5,6-b]furan
CID 129845500
Indeno[1,2-b]furan
CID 139207808

Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-3a,7a-dihydro-1-benzofuran?
The IUPAC name of (3aS,7aR)-3a,7a-dihydro-1-benzofuran (CID 123323212) is (3aS,7aR)-3a,7a-dihydro-1-benzofuran.
What is the SMILES notation for (3aS,7aR)-3a,7a-dihydro-1-benzofuran?
The canonical SMILES for (3aS,7aR)-3a,7a-dihydro-1-benzofuran is C1=C[C@H]2C=CO[C@@H]2C=C1.
What is the InChIKey of (3aS,7aR)-3a,7a-dihydro-1-benzofuran?
The InChIKey is GWBSVOPPSNSUGB-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-8H/t7-,8+/m0/s1.
What are the key properties of (3aS,7aR)-3a,7a-dihydro-1-benzofuran?
(3aS,7aR)-3a,7a-dihydro-1-benzofuran has a molecular weight of 120.15 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-3a,7a-dihydro-1-benzofuran is sourced from PubChem (CID 123323212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).