2-(1,3,3a,7a-tetrahydro-2-benzofuran-4-yl)propan-1-ol

C11H16O2 — CID 137495575

IUPAC2-(1,3,3a,7a-tetrahydro-2-benzofuran-4-yl)propan-1-ol
SMILESCC(CO)C1=CC=CC2COCC12
InChIInChI=1S/C11H16O2/c1-8(5-12)10-4-2-3-9-6-13-7-11(9)10/h2-4,8-9,11-12H,5-7H2,1H3
InChIKeyCHJXDPLAVXWFHW-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.37
Rot. Bonds2

About 2-(1,3,3a,7a-tetrahydro-2-benzofuran-4-yl)propan-1-ol

2-(1,3,3a,7a-tetrahydro-2-benzofuran-4-yl)propan-1-ol (PubChem CID 137495575) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(1,3,3a,7a-tetrahydro-2-benzofuran-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-(1,3,3a,7a-tetrahydro-2-benzofuran-4-yl)propan-1-ol
PubChem CID137495575
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(1,3,3a,7a-tetrahydro-2-benzofuran-4-yl)propan-1-ol
SMILESCC(CO)C1=CC=CC2COCC12
InChIInChI=1S/C11H16O2/c1-8(5-12)10-4-2-3-9-6-13-7-11(9)10/h2-4,8-9,11-12H,5-7H2,1H3
InChIKeyCHJXDPLAVXWFHW-UHFFFAOYSA-N
XLogP1.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,3a,7a-tetrahydro-2-benzofuran-4-yl)propan-1-ol?
The IUPAC name of 2-(1,3,3a,7a-tetrahydro-2-benzofuran-4-yl)propan-1-ol (CID 137495575) is 2-(1,3,3a,7a-tetrahydro-2-benzofuran-4-yl)propan-1-ol.
What is the SMILES notation for 2-(1,3,3a,7a-tetrahydro-2-benzofuran-4-yl)propan-1-ol?
The canonical SMILES for 2-(1,3,3a,7a-tetrahydro-2-benzofuran-4-yl)propan-1-ol is CC(CO)C1=CC=CC2COCC12.
What is the InChIKey of 2-(1,3,3a,7a-tetrahydro-2-benzofuran-4-yl)propan-1-ol?
The InChIKey is CHJXDPLAVXWFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8(5-12)10-4-2-3-9-6-13-7-11(9)10/h2-4,8-9,11-12H,5-7H2,1H3.
What are the key properties of 2-(1,3,3a,7a-tetrahydro-2-benzofuran-4-yl)propan-1-ol?
2-(1,3,3a,7a-tetrahydro-2-benzofuran-4-yl)propan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,3a,7a-tetrahydro-2-benzofuran-4-yl)propan-1-ol is sourced from PubChem (CID 137495575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).