4-[2-[5-[2-(4-hydroxyphenyl)propan-2-yl]furan-2-yl]propan-2-yl]phenol

C22H24O3 — CID 70612687

IUPAC4-[2-[5-[2-(4-hydroxyphenyl)propan-2-yl]furan-2-yl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(C(C)(C)c2ccc(O)cc2)o1
InChIInChI=1S/C22H24O3/c1-21(2,15-5-9-17(23)10-6-15)19-13-14-20(25-19)22(3,4)16-7-11-18(24)12-8-16/h5-14,23-24H,1-4H3
InChIKeyFOYHIFCTBYNPBN-UHFFFAOYSA-N
MW336.43 g/mol
LogP5.34
Rot. Bonds4

About 4-[2-[5-[2-(4-hydroxyphenyl)propan-2-yl]furan-2-yl]propan-2-yl]phenol

4-[2-[5-[2-(4-hydroxyphenyl)propan-2-yl]furan-2-yl]propan-2-yl]phenol (PubChem CID 70612687) has the molecular formula C22H24O3 and a molecular weight of 336.43 g/mol. Its IUPAC name is 4-[2-[5-[2-(4-hydroxyphenyl)propan-2-yl]furan-2-yl]propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[5-[2-(4-hydroxyphenyl)propan-2-yl]furan-2-yl]propan-2-yl]phenol
PubChem CID70612687
Molecular FormulaC22H24O3
Molecular Weight336.43 g/mol
Exact Mass336.17
IUPAC Name4-[2-[5-[2-(4-hydroxyphenyl)propan-2-yl]furan-2-yl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(C(C)(C)c2ccc(O)cc2)o1
InChIInChI=1S/C22H24O3/c1-21(2,15-5-9-17(23)10-6-15)19-13-14-20(25-19)22(3,4)16-7-11-18(24)12-8-16/h5-14,23-24H,1-4H3
InChIKeyFOYHIFCTBYNPBN-UHFFFAOYSA-N
XLogP5.34
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[2-(4-hydroxyphenyl)propan-2-yl]furan-2-yl]propan-2-yl]phenol?
The IUPAC name of 4-[2-[5-[2-(4-hydroxyphenyl)propan-2-yl]furan-2-yl]propan-2-yl]phenol (CID 70612687) is 4-[2-[5-[2-(4-hydroxyphenyl)propan-2-yl]furan-2-yl]propan-2-yl]phenol.
What is the SMILES notation for 4-[2-[5-[2-(4-hydroxyphenyl)propan-2-yl]furan-2-yl]propan-2-yl]phenol?
The canonical SMILES for 4-[2-[5-[2-(4-hydroxyphenyl)propan-2-yl]furan-2-yl]propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(C(C)(C)c2ccc(O)cc2)o1.
What is the InChIKey of 4-[2-[5-[2-(4-hydroxyphenyl)propan-2-yl]furan-2-yl]propan-2-yl]phenol?
The InChIKey is FOYHIFCTBYNPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O3/c1-21(2,15-5-9-17(23)10-6-15)19-13-14-20(25-19)22(3,4)16-7-11-18(24)12-8-16/h5-14,23-24H,1-4H3.
What are the key properties of 4-[2-[5-[2-(4-hydroxyphenyl)propan-2-yl]furan-2-yl]propan-2-yl]phenol?
4-[2-[5-[2-(4-hydroxyphenyl)propan-2-yl]furan-2-yl]propan-2-yl]phenol has a molecular weight of 336.43 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[2-(4-hydroxyphenyl)propan-2-yl]furan-2-yl]propan-2-yl]phenol is sourced from PubChem (CID 70612687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).