3-[5-[2-[(5-propylfuran-2-yl)methoxy]ethoxymethyl]furan-2-yl]propan-1-ol

C18H26O5 — CID 145016432

IUPAC3-[5-[2-[(5-propylfuran-2-yl)methoxy]ethoxymethyl]furan-2-yl]propan-1-ol
SMILESCCCc1ccc(COCCOCc2ccc(CCCO)o2)o1
InChIInChI=1S/C18H26O5/c1-2-4-15-6-8-17(22-15)13-20-11-12-21-14-18-9-7-16(23-18)5-3-10-19/h6-9,19H,2-5,10-14H2,1H3
InChIKeyBJZZTWJRXTXRNS-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.48
Rot. Bonds12

About 3-[5-[2-[(5-propylfuran-2-yl)methoxy]ethoxymethyl]furan-2-yl]propan-1-ol

3-[5-[2-[(5-propylfuran-2-yl)methoxy]ethoxymethyl]furan-2-yl]propan-1-ol (PubChem CID 145016432) has the molecular formula C18H26O5 and a molecular weight of 322.40 g/mol. Its IUPAC name is 3-[5-[2-[(5-propylfuran-2-yl)methoxy]ethoxymethyl]furan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-[2-[(5-propylfuran-2-yl)methoxy]ethoxymethyl]furan-2-yl]propan-1-ol
PubChem CID145016432
Molecular FormulaC18H26O5
Molecular Weight322.40 g/mol
Exact Mass322.18
IUPAC Name3-[5-[2-[(5-propylfuran-2-yl)methoxy]ethoxymethyl]furan-2-yl]propan-1-ol
SMILESCCCc1ccc(COCCOCc2ccc(CCCO)o2)o1
InChIInChI=1S/C18H26O5/c1-2-4-15-6-8-17(22-15)13-20-11-12-21-14-18-9-7-16(23-18)5-3-10-19/h6-9,19H,2-5,10-14H2,1H3
InChIKeyBJZZTWJRXTXRNS-UHFFFAOYSA-N
XLogP3.48
TPSA64.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-[(5-propylfuran-2-yl)methoxy]ethoxymethyl]furan-2-yl]propan-1-ol?
The IUPAC name of 3-[5-[2-[(5-propylfuran-2-yl)methoxy]ethoxymethyl]furan-2-yl]propan-1-ol (CID 145016432) is 3-[5-[2-[(5-propylfuran-2-yl)methoxy]ethoxymethyl]furan-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-[2-[(5-propylfuran-2-yl)methoxy]ethoxymethyl]furan-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-[2-[(5-propylfuran-2-yl)methoxy]ethoxymethyl]furan-2-yl]propan-1-ol is CCCc1ccc(COCCOCc2ccc(CCCO)o2)o1.
What is the InChIKey of 3-[5-[2-[(5-propylfuran-2-yl)methoxy]ethoxymethyl]furan-2-yl]propan-1-ol?
The InChIKey is BJZZTWJRXTXRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O5/c1-2-4-15-6-8-17(22-15)13-20-11-12-21-14-18-9-7-16(23-18)5-3-10-19/h6-9,19H,2-5,10-14H2,1H3.
What are the key properties of 3-[5-[2-[(5-propylfuran-2-yl)methoxy]ethoxymethyl]furan-2-yl]propan-1-ol?
3-[5-[2-[(5-propylfuran-2-yl)methoxy]ethoxymethyl]furan-2-yl]propan-1-ol has a molecular weight of 322.40 g/mol, XLogP of 3.48, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[(5-propylfuran-2-yl)methoxy]ethoxymethyl]furan-2-yl]propan-1-ol is sourced from PubChem (CID 145016432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).