2-[[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]methoxy]ethanol

C15H18O5 — CID 101465402

IUPAC2-[[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]methoxy]ethanol
SMILESCOc1ccc(C(O)c2ccc(COCCO)o2)cc1
InChIInChI=1S/C15H18O5/c1-18-12-4-2-11(3-5-12)15(17)14-7-6-13(20-14)10-19-9-8-16/h2-7,15-17H,8-10H2,1H3
InChIKeyLXTUNXNBROMBHQ-UHFFFAOYSA-N
MW278.30 g/mol
LogP1.88
Rot. Bonds7

About 2-[[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]methoxy]ethanol

2-[[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]methoxy]ethanol (PubChem CID 101465402) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-[[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]methoxy]ethanol.

Molecular Properties

Compound Name2-[[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]methoxy]ethanol
PubChem CID101465402
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name2-[[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]methoxy]ethanol
SMILESCOc1ccc(C(O)c2ccc(COCCO)o2)cc1
InChIInChI=1S/C15H18O5/c1-18-12-4-2-11(3-5-12)15(17)14-7-6-13(20-14)10-19-9-8-16/h2-7,15-17H,8-10H2,1H3
InChIKeyLXTUNXNBROMBHQ-UHFFFAOYSA-N
XLogP1.88
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
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 2-[[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]methoxy]ethanol?
The IUPAC name of 2-[[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]methoxy]ethanol (CID 101465402) is 2-[[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]methoxy]ethanol.
What is the SMILES notation for 2-[[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]methoxy]ethanol?
The canonical SMILES for 2-[[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]methoxy]ethanol is COc1ccc(C(O)c2ccc(COCCO)o2)cc1.
What is the InChIKey of 2-[[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]methoxy]ethanol?
The InChIKey is LXTUNXNBROMBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-18-12-4-2-11(3-5-12)15(17)14-7-6-13(20-14)10-19-9-8-16/h2-7,15-17H,8-10H2,1H3.
What are the key properties of 2-[[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]methoxy]ethanol?
2-[[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]methoxy]ethanol has a molecular weight of 278.30 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]methoxy]ethanol is sourced from PubChem (CID 101465402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).