1-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-1-(4-methoxyphenyl)propan-2-ol

C20H26O5 — CID 45360337

IUPAC1-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-1-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(C(O)C(C)OC(c2ccc(OC)cc2)C(C)O)cc1
InChIInChI=1S/C20H26O5/c1-13(21)20(16-7-11-18(24-4)12-8-16)25-14(2)19(22)15-5-9-17(23-3)10-6-15/h5-14,19-22H,1-4H3
InChIKeyTXTILWZRXPOUKA-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.26
Rot. Bonds8

About 1-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-1-(4-methoxyphenyl)propan-2-ol

1-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-1-(4-methoxyphenyl)propan-2-ol (PubChem CID 45360337) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is 1-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-1-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-1-(4-methoxyphenyl)propan-2-ol
PubChem CID45360337
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name1-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-1-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(C(O)C(C)OC(c2ccc(OC)cc2)C(C)O)cc1
InChIInChI=1S/C20H26O5/c1-13(21)20(16-7-11-18(24-4)12-8-16)25-14(2)19(22)15-5-9-17(23-3)10-6-15/h5-14,19-22H,1-4H3
InChIKeyTXTILWZRXPOUKA-UHFFFAOYSA-N
XLogP3.26
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-1-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-1-(4-methoxyphenyl)propan-2-ol (CID 45360337) is 1-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-1-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-1-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-1-(4-methoxyphenyl)propan-2-ol is COc1ccc(C(O)C(C)OC(c2ccc(OC)cc2)C(C)O)cc1.
What is the InChIKey of 1-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-1-(4-methoxyphenyl)propan-2-ol?
The InChIKey is TXTILWZRXPOUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O5/c1-13(21)20(16-7-11-18(24-4)12-8-16)25-14(2)19(22)15-5-9-17(23-3)10-6-15/h5-14,19-22H,1-4H3.
What are the key properties of 1-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-1-(4-methoxyphenyl)propan-2-ol?
1-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-1-(4-methoxyphenyl)propan-2-ol has a molecular weight of 346.42 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-1-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 45360337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).