2,5-bis(4-hydroxyphenyl)-4-methoxybenzene-1,3-diol

C19H16O5 — CID 53262748

IUPAC2,5-bis(4-hydroxyphenyl)-4-methoxybenzene-1,3-diol
SMILESCOc1c(-c2ccc(O)cc2)cc(O)c(-c2ccc(O)cc2)c1O
InChIInChI=1S/C19H16O5/c1-24-19-15(11-2-6-13(20)7-3-11)10-16(22)17(18(19)23)12-4-8-14(21)9-5-12/h2-10,20-23H,1H3
InChIKeyZMEOGHAIJYBVMI-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.85
Rot. Bonds3

About 2,5-bis(4-hydroxyphenyl)-4-methoxybenzene-1,3-diol

2,5-bis(4-hydroxyphenyl)-4-methoxybenzene-1,3-diol (PubChem CID 53262748) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is 2,5-bis(4-hydroxyphenyl)-4-methoxybenzene-1,3-diol.

Molecular Properties

Compound Name2,5-bis(4-hydroxyphenyl)-4-methoxybenzene-1,3-diol
PubChem CID53262748
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name2,5-bis(4-hydroxyphenyl)-4-methoxybenzene-1,3-diol
SMILESCOc1c(-c2ccc(O)cc2)cc(O)c(-c2ccc(O)cc2)c1O
InChIInChI=1S/C19H16O5/c1-24-19-15(11-2-6-13(20)7-3-11)10-16(22)17(18(19)23)12-4-8-14(21)9-5-12/h2-10,20-23H,1H3
InChIKeyZMEOGHAIJYBVMI-UHFFFAOYSA-N
XLogP3.85
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-hydroxyphenyl)-4-methoxybenzene-1,3-diol?
The IUPAC name of 2,5-bis(4-hydroxyphenyl)-4-methoxybenzene-1,3-diol (CID 53262748) is 2,5-bis(4-hydroxyphenyl)-4-methoxybenzene-1,3-diol.
What is the SMILES notation for 2,5-bis(4-hydroxyphenyl)-4-methoxybenzene-1,3-diol?
The canonical SMILES for 2,5-bis(4-hydroxyphenyl)-4-methoxybenzene-1,3-diol is COc1c(-c2ccc(O)cc2)cc(O)c(-c2ccc(O)cc2)c1O.
What is the InChIKey of 2,5-bis(4-hydroxyphenyl)-4-methoxybenzene-1,3-diol?
The InChIKey is ZMEOGHAIJYBVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-24-19-15(11-2-6-13(20)7-3-11)10-16(22)17(18(19)23)12-4-8-14(21)9-5-12/h2-10,20-23H,1H3.
What are the key properties of 2,5-bis(4-hydroxyphenyl)-4-methoxybenzene-1,3-diol?
2,5-bis(4-hydroxyphenyl)-4-methoxybenzene-1,3-diol has a molecular weight of 324.33 g/mol, XLogP of 3.85, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-hydroxyphenyl)-4-methoxybenzene-1,3-diol is sourced from PubChem (CID 53262748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).