1-[4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenyl]ethanol

C21H18O3 — CID 45482706

IUPAC1-[4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenyl]ethanol
SMILESCc1ccc(-c2ccc3occ(-c4ccc(C(C)O)cc4)c3c2)o1
InChIInChI=1S/C21H18O3/c1-13-3-9-20(24-13)17-8-10-21-18(11-17)19(12-23-21)16-6-4-15(5-7-16)14(2)22/h3-12,14,22H,1-2H3
InChIKeyMGMVBUGQYOEFEX-UHFFFAOYSA-N
MW318.37 g/mol
LogP5.72
Rot. Bonds3

About 1-[4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenyl]ethanol

1-[4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenyl]ethanol (PubChem CID 45482706) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenyl]ethanol
PubChem CID45482706
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name1-[4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenyl]ethanol
SMILESCc1ccc(-c2ccc3occ(-c4ccc(C(C)O)cc4)c3c2)o1
InChIInChI=1S/C21H18O3/c1-13-3-9-20(24-13)17-8-10-21-18(11-17)19(12-23-21)16-6-4-15(5-7-16)14(2)22/h3-12,14,22H,1-2H3
InChIKeyMGMVBUGQYOEFEX-UHFFFAOYSA-N
XLogP5.72
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.37
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenyl]ethanol?
The IUPAC name of 1-[4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenyl]ethanol (CID 45482706) is 1-[4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenyl]ethanol?
The canonical SMILES for 1-[4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenyl]ethanol is Cc1ccc(-c2ccc3occ(-c4ccc(C(C)O)cc4)c3c2)o1.
What is the InChIKey of 1-[4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenyl]ethanol?
The InChIKey is MGMVBUGQYOEFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-13-3-9-20(24-13)17-8-10-21-18(11-17)19(12-23-21)16-6-4-15(5-7-16)14(2)22/h3-12,14,22H,1-2H3.
What are the key properties of 1-[4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenyl]ethanol?
1-[4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenyl]ethanol has a molecular weight of 318.37 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenyl]ethanol is sourced from PubChem (CID 45482706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).