4-[2-(4-hydroxy-2-phenyl-3-propoxyphenyl)propan-2-yl]-3-phenyl-2-propoxyphenol

C33H36O4 — CID 174711002

IUPAC4-[2-(4-hydroxy-2-phenyl-3-propoxyphenyl)propan-2-yl]-3-phenyl-2-propoxyphenol
SMILESCCCOc1c(O)ccc(C(C)(C)c2ccc(O)c(OCCC)c2-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C33H36O4/c1-5-21-36-31-27(34)19-17-25(29(31)23-13-9-7-10-14-23)33(3,4)26-18-20-28(35)32(37-22-6-2)30(26)24-15-11-8-12-16-24/h7-20,34-35H,5-6,21-22H2,1-4H3
InChIKeyFZWDUVBWVJSDMY-UHFFFAOYSA-N
MW496.65 g/mol
LogP8.34
Rot. Bonds10

About 4-[2-(4-hydroxy-2-phenyl-3-propoxyphenyl)propan-2-yl]-3-phenyl-2-propoxyphenol

4-[2-(4-hydroxy-2-phenyl-3-propoxyphenyl)propan-2-yl]-3-phenyl-2-propoxyphenol (PubChem CID 174711002) has the molecular formula C33H36O4 and a molecular weight of 496.65 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-2-phenyl-3-propoxyphenyl)propan-2-yl]-3-phenyl-2-propoxyphenol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-2-phenyl-3-propoxyphenyl)propan-2-yl]-3-phenyl-2-propoxyphenol
PubChem CID174711002
Molecular FormulaC33H36O4
Molecular Weight496.65 g/mol
Exact Mass496.26
IUPAC Name4-[2-(4-hydroxy-2-phenyl-3-propoxyphenyl)propan-2-yl]-3-phenyl-2-propoxyphenol
SMILESCCCOc1c(O)ccc(C(C)(C)c2ccc(O)c(OCCC)c2-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C33H36O4/c1-5-21-36-31-27(34)19-17-25(29(31)23-13-9-7-10-14-23)33(3,4)26-18-20-28(35)32(37-22-6-2)30(26)24-15-11-8-12-16-24/h7-20,34-35H,5-6,21-22H2,1-4H3
InChIKeyFZWDUVBWVJSDMY-UHFFFAOYSA-N
XLogP8.34
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 58.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-2-phenyl-3-propoxyphenyl)propan-2-yl]-3-phenyl-2-propoxyphenol?
The IUPAC name of 4-[2-(4-hydroxy-2-phenyl-3-propoxyphenyl)propan-2-yl]-3-phenyl-2-propoxyphenol (CID 174711002) is 4-[2-(4-hydroxy-2-phenyl-3-propoxyphenyl)propan-2-yl]-3-phenyl-2-propoxyphenol.
What is the SMILES notation for 4-[2-(4-hydroxy-2-phenyl-3-propoxyphenyl)propan-2-yl]-3-phenyl-2-propoxyphenol?
The canonical SMILES for 4-[2-(4-hydroxy-2-phenyl-3-propoxyphenyl)propan-2-yl]-3-phenyl-2-propoxyphenol is CCCOc1c(O)ccc(C(C)(C)c2ccc(O)c(OCCC)c2-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-[2-(4-hydroxy-2-phenyl-3-propoxyphenyl)propan-2-yl]-3-phenyl-2-propoxyphenol?
The InChIKey is FZWDUVBWVJSDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O4/c1-5-21-36-31-27(34)19-17-25(29(31)23-13-9-7-10-14-23)33(3,4)26-18-20-28(35)32(37-22-6-2)30(26)24-15-11-8-12-16-24/h7-20,34-35H,5-6,21-22H2,1-4H3.
What are the key properties of 4-[2-(4-hydroxy-2-phenyl-3-propoxyphenyl)propan-2-yl]-3-phenyl-2-propoxyphenol?
4-[2-(4-hydroxy-2-phenyl-3-propoxyphenyl)propan-2-yl]-3-phenyl-2-propoxyphenol has a molecular weight of 496.65 g/mol, XLogP of 8.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-2-phenyl-3-propoxyphenyl)propan-2-yl]-3-phenyl-2-propoxyphenol is sourced from PubChem (CID 174711002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).