2,3,3a,4-tetrahydro-1-benzofuran-5-ylmethanol

C9H12O2 — CID 123726414

IUPAC2,3,3a,4-tetrahydro-1-benzofuran-5-ylmethanol
SMILESOCC1=CC=C2OCCC2C1
InChIInChI=1S/C9H12O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,8,10H,3-6H2
InChIKeyODFYNUPSRWHEBP-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.23
Rot. Bonds1

About 2,3,3a,4-tetrahydro-1-benzofuran-5-ylmethanol

2,3,3a,4-tetrahydro-1-benzofuran-5-ylmethanol (PubChem CID 123726414) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1-benzofuran-5-ylmethanol.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1-benzofuran-5-ylmethanol
PubChem CID123726414
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2,3,3a,4-tetrahydro-1-benzofuran-5-ylmethanol
SMILESOCC1=CC=C2OCCC2C1
InChIInChI=1S/C9H12O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,8,10H,3-6H2
InChIKeyODFYNUPSRWHEBP-UHFFFAOYSA-N
XLogP1.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1-benzofuran-5-ylmethanol?
The IUPAC name of 2,3,3a,4-tetrahydro-1-benzofuran-5-ylmethanol (CID 123726414) is 2,3,3a,4-tetrahydro-1-benzofuran-5-ylmethanol.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1-benzofuran-5-ylmethanol?
The canonical SMILES for 2,3,3a,4-tetrahydro-1-benzofuran-5-ylmethanol is OCC1=CC=C2OCCC2C1.
What is the InChIKey of 2,3,3a,4-tetrahydro-1-benzofuran-5-ylmethanol?
The InChIKey is ODFYNUPSRWHEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,8,10H,3-6H2.
What are the key properties of 2,3,3a,4-tetrahydro-1-benzofuran-5-ylmethanol?
2,3,3a,4-tetrahydro-1-benzofuran-5-ylmethanol has a molecular weight of 152.19 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1-benzofuran-5-ylmethanol is sourced from PubChem (CID 123726414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).