4-[4-(4-hydroxy-2-methylphenyl)furan-3-yl]-3-methylphenol

C18H16O3 — CID 71625173

IUPAC4-[4-(4-hydroxy-2-methylphenyl)furan-3-yl]-3-methylphenol
SMILESCc1cc(O)ccc1-c1cocc1-c1ccc(O)cc1C
InChIInChI=1S/C18H16O3/c1-11-7-13(19)3-5-15(11)17-9-21-10-18(17)16-6-4-14(20)8-12(16)2/h3-10,19-20H,1-2H3
InChIKeyWGXQWLJYBOWUIR-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.64
Rot. Bonds2

About 4-[4-(4-hydroxy-2-methylphenyl)furan-3-yl]-3-methylphenol

4-[4-(4-hydroxy-2-methylphenyl)furan-3-yl]-3-methylphenol (PubChem CID 71625173) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[4-(4-hydroxy-2-methylphenyl)furan-3-yl]-3-methylphenol.

Molecular Properties

Compound Name4-[4-(4-hydroxy-2-methylphenyl)furan-3-yl]-3-methylphenol
PubChem CID71625173
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name4-[4-(4-hydroxy-2-methylphenyl)furan-3-yl]-3-methylphenol
SMILESCc1cc(O)ccc1-c1cocc1-c1ccc(O)cc1C
InChIInChI=1S/C18H16O3/c1-11-7-13(19)3-5-15(11)17-9-21-10-18(17)16-6-4-14(20)8-12(16)2/h3-10,19-20H,1-2H3
InChIKeyWGXQWLJYBOWUIR-UHFFFAOYSA-N
XLogP4.64
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxy-2-methylphenyl)furan-3-yl]-3-methylphenol?
The IUPAC name of 4-[4-(4-hydroxy-2-methylphenyl)furan-3-yl]-3-methylphenol (CID 71625173) is 4-[4-(4-hydroxy-2-methylphenyl)furan-3-yl]-3-methylphenol.
What is the SMILES notation for 4-[4-(4-hydroxy-2-methylphenyl)furan-3-yl]-3-methylphenol?
The canonical SMILES for 4-[4-(4-hydroxy-2-methylphenyl)furan-3-yl]-3-methylphenol is Cc1cc(O)ccc1-c1cocc1-c1ccc(O)cc1C.
What is the InChIKey of 4-[4-(4-hydroxy-2-methylphenyl)furan-3-yl]-3-methylphenol?
The InChIKey is WGXQWLJYBOWUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-11-7-13(19)3-5-15(11)17-9-21-10-18(17)16-6-4-14(20)8-12(16)2/h3-10,19-20H,1-2H3.
What are the key properties of 4-[4-(4-hydroxy-2-methylphenyl)furan-3-yl]-3-methylphenol?
4-[4-(4-hydroxy-2-methylphenyl)furan-3-yl]-3-methylphenol has a molecular weight of 280.32 g/mol, XLogP of 4.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxy-2-methylphenyl)furan-3-yl]-3-methylphenol is sourced from PubChem (CID 71625173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).