3-[5-(3-hydroxyphenyl)-3,4-dimethylfuran-2-yl]phenol

C18H16O3 — CID 139763910

IUPAC3-[5-(3-hydroxyphenyl)-3,4-dimethylfuran-2-yl]phenol
SMILESCc1c(-c2cccc(O)c2)oc(-c2cccc(O)c2)c1C
InChIInChI=1S/C18H16O3/c1-11-12(2)18(14-6-4-8-16(20)10-14)21-17(11)13-5-3-7-15(19)9-13/h3-10,19-20H,1-2H3
InChIKeySCFSNQWRGQGJEL-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.64
Rot. Bonds2

About 3-[5-(3-hydroxyphenyl)-3,4-dimethylfuran-2-yl]phenol

3-[5-(3-hydroxyphenyl)-3,4-dimethylfuran-2-yl]phenol (PubChem CID 139763910) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[5-(3-hydroxyphenyl)-3,4-dimethylfuran-2-yl]phenol.

Molecular Properties

Compound Name3-[5-(3-hydroxyphenyl)-3,4-dimethylfuran-2-yl]phenol
PubChem CID139763910
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name3-[5-(3-hydroxyphenyl)-3,4-dimethylfuran-2-yl]phenol
SMILESCc1c(-c2cccc(O)c2)oc(-c2cccc(O)c2)c1C
InChIInChI=1S/C18H16O3/c1-11-12(2)18(14-6-4-8-16(20)10-14)21-17(11)13-5-3-7-15(19)9-13/h3-10,19-20H,1-2H3
InChIKeySCFSNQWRGQGJEL-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 3-[5-(3-hydroxyphenyl)-3,4-dimethylfuran-2-yl]phenol?
The IUPAC name of 3-[5-(3-hydroxyphenyl)-3,4-dimethylfuran-2-yl]phenol (CID 139763910) is 3-[5-(3-hydroxyphenyl)-3,4-dimethylfuran-2-yl]phenol.
What is the SMILES notation for 3-[5-(3-hydroxyphenyl)-3,4-dimethylfuran-2-yl]phenol?
The canonical SMILES for 3-[5-(3-hydroxyphenyl)-3,4-dimethylfuran-2-yl]phenol is Cc1c(-c2cccc(O)c2)oc(-c2cccc(O)c2)c1C.
What is the InChIKey of 3-[5-(3-hydroxyphenyl)-3,4-dimethylfuran-2-yl]phenol?
The InChIKey is SCFSNQWRGQGJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-11-12(2)18(14-6-4-8-16(20)10-14)21-17(11)13-5-3-7-15(19)9-13/h3-10,19-20H,1-2H3.
What are the key properties of 3-[5-(3-hydroxyphenyl)-3,4-dimethylfuran-2-yl]phenol?
3-[5-(3-hydroxyphenyl)-3,4-dimethylfuran-2-yl]phenol 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 3-[5-(3-hydroxyphenyl)-3,4-dimethylfuran-2-yl]phenol is sourced from PubChem (CID 139763910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).