4-[[4-[(4-hydroxyphenyl)methyl]furan-3-yl]methyl]phenol

C18H16O3 — CID 162653196

IUPAC4-[[4-[(4-hydroxyphenyl)methyl]furan-3-yl]methyl]phenol
SMILESOc1ccc(Cc2cocc2Cc2ccc(O)cc2)cc1
InChIInChI=1S/C18H16O3/c19-17-5-1-13(2-6-17)9-15-11-21-12-16(15)10-14-3-7-18(20)8-4-14/h1-8,11-12,19-20H,9-10H2
InChIKeyMOHUYINNWXRNSX-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.87
Rot. Bonds4

About 4-[[4-[(4-hydroxyphenyl)methyl]furan-3-yl]methyl]phenol

4-[[4-[(4-hydroxyphenyl)methyl]furan-3-yl]methyl]phenol (PubChem CID 162653196) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[[4-[(4-hydroxyphenyl)methyl]furan-3-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-[(4-hydroxyphenyl)methyl]furan-3-yl]methyl]phenol
PubChem CID162653196
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name4-[[4-[(4-hydroxyphenyl)methyl]furan-3-yl]methyl]phenol
SMILESOc1ccc(Cc2cocc2Cc2ccc(O)cc2)cc1
InChIInChI=1S/C18H16O3/c19-17-5-1-13(2-6-17)9-15-11-21-12-16(15)10-14-3-7-18(20)8-4-14/h1-8,11-12,19-20H,9-10H2
InChIKeyMOHUYINNWXRNSX-UHFFFAOYSA-N
XLogP3.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-hydroxyphenyl)methyl]furan-3-yl]methyl]phenol?
The IUPAC name of 4-[[4-[(4-hydroxyphenyl)methyl]furan-3-yl]methyl]phenol (CID 162653196) is 4-[[4-[(4-hydroxyphenyl)methyl]furan-3-yl]methyl]phenol.
What is the SMILES notation for 4-[[4-[(4-hydroxyphenyl)methyl]furan-3-yl]methyl]phenol?
The canonical SMILES for 4-[[4-[(4-hydroxyphenyl)methyl]furan-3-yl]methyl]phenol is Oc1ccc(Cc2cocc2Cc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[4-[(4-hydroxyphenyl)methyl]furan-3-yl]methyl]phenol?
The InChIKey is MOHUYINNWXRNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c19-17-5-1-13(2-6-17)9-15-11-21-12-16(15)10-14-3-7-18(20)8-4-14/h1-8,11-12,19-20H,9-10H2.
What are the key properties of 4-[[4-[(4-hydroxyphenyl)methyl]furan-3-yl]methyl]phenol?
4-[[4-[(4-hydroxyphenyl)methyl]furan-3-yl]methyl]phenol has a molecular weight of 280.32 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-hydroxyphenyl)methyl]furan-3-yl]methyl]phenol is sourced from PubChem (CID 162653196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).