3-[(5-ethyl-2,3-dihydro-1-benzofuran-7-yl)methoxy]propan-1-ol

C14H20O3 — CID 70846960

IUPAC3-[(5-ethyl-2,3-dihydro-1-benzofuran-7-yl)methoxy]propan-1-ol
SMILESCCc1cc2c(c(COCCCO)c1)OCC2
InChIInChI=1S/C14H20O3/c1-2-11-8-12-4-7-17-14(12)13(9-11)10-16-6-3-5-15/h8-9,15H,2-7,10H2,1H3
InChIKeyRHOPBUMTPYCQLG-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.08
Rot. Bonds6

About 3-[(5-ethyl-2,3-dihydro-1-benzofuran-7-yl)methoxy]propan-1-ol

3-[(5-ethyl-2,3-dihydro-1-benzofuran-7-yl)methoxy]propan-1-ol (PubChem CID 70846960) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[(5-ethyl-2,3-dihydro-1-benzofuran-7-yl)methoxy]propan-1-ol.

Molecular Properties

Compound Name3-[(5-ethyl-2,3-dihydro-1-benzofuran-7-yl)methoxy]propan-1-ol
PubChem CID70846960
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-[(5-ethyl-2,3-dihydro-1-benzofuran-7-yl)methoxy]propan-1-ol
SMILESCCc1cc2c(c(COCCCO)c1)OCC2
InChIInChI=1S/C14H20O3/c1-2-11-8-12-4-7-17-14(12)13(9-11)10-16-6-3-5-15/h8-9,15H,2-7,10H2,1H3
InChIKeyRHOPBUMTPYCQLG-UHFFFAOYSA-N
XLogP2.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-2,3-dihydro-1-benzofuran-7-yl)methoxy]propan-1-ol?
The IUPAC name of 3-[(5-ethyl-2,3-dihydro-1-benzofuran-7-yl)methoxy]propan-1-ol (CID 70846960) is 3-[(5-ethyl-2,3-dihydro-1-benzofuran-7-yl)methoxy]propan-1-ol.
What is the SMILES notation for 3-[(5-ethyl-2,3-dihydro-1-benzofuran-7-yl)methoxy]propan-1-ol?
The canonical SMILES for 3-[(5-ethyl-2,3-dihydro-1-benzofuran-7-yl)methoxy]propan-1-ol is CCc1cc2c(c(COCCCO)c1)OCC2.
What is the InChIKey of 3-[(5-ethyl-2,3-dihydro-1-benzofuran-7-yl)methoxy]propan-1-ol?
The InChIKey is RHOPBUMTPYCQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-2-11-8-12-4-7-17-14(12)13(9-11)10-16-6-3-5-15/h8-9,15H,2-7,10H2,1H3.
What are the key properties of 3-[(5-ethyl-2,3-dihydro-1-benzofuran-7-yl)methoxy]propan-1-ol?
3-[(5-ethyl-2,3-dihydro-1-benzofuran-7-yl)methoxy]propan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-2,3-dihydro-1-benzofuran-7-yl)methoxy]propan-1-ol is sourced from PubChem (CID 70846960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).