2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[2-(3-methoxyphenyl)ethyl]phenol

C30H30O5 — CID 87579315

IUPAC2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[2-(3-methoxyphenyl)ethyl]phenol
SMILESCOc1cccc(CCc2c(Cc3ccc(O)cc3)c(O)cc(OC)c2Cc2ccc(O)cc2)c1
InChIInChI=1S/C30H30O5/c1-34-25-5-3-4-20(16-25)10-15-26-27(17-21-6-11-23(31)12-7-21)29(33)19-30(35-2)28(26)18-22-8-13-24(32)14-9-22/h3-9,11-14,16,19,31-33H,10,15,17-18H2,1-2H3
InChIKeyLUXDHEOYGQPBDS-UHFFFAOYSA-N
MW470.57 g/mol
LogP5.79
Rot. Bonds9

About 2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[2-(3-methoxyphenyl)ethyl]phenol

2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[2-(3-methoxyphenyl)ethyl]phenol (PubChem CID 87579315) has the molecular formula C30H30O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[2-(3-methoxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[2-(3-methoxyphenyl)ethyl]phenol
PubChem CID87579315
Molecular FormulaC30H30O5
Molecular Weight470.57 g/mol
Exact Mass470.21
IUPAC Name2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[2-(3-methoxyphenyl)ethyl]phenol
SMILESCOc1cccc(CCc2c(Cc3ccc(O)cc3)c(O)cc(OC)c2Cc2ccc(O)cc2)c1
InChIInChI=1S/C30H30O5/c1-34-25-5-3-4-20(16-25)10-15-26-27(17-21-6-11-23(31)12-7-21)29(33)19-30(35-2)28(26)18-22-8-13-24(32)14-9-22/h3-9,11-14,16,19,31-33H,10,15,17-18H2,1-2H3
InChIKeyLUXDHEOYGQPBDS-UHFFFAOYSA-N
XLogP5.79
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[2-(3-methoxyphenyl)ethyl]phenol?
The IUPAC name of 2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[2-(3-methoxyphenyl)ethyl]phenol (CID 87579315) is 2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[2-(3-methoxyphenyl)ethyl]phenol.
What is the SMILES notation for 2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[2-(3-methoxyphenyl)ethyl]phenol?
The canonical SMILES for 2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[2-(3-methoxyphenyl)ethyl]phenol is COc1cccc(CCc2c(Cc3ccc(O)cc3)c(O)cc(OC)c2Cc2ccc(O)cc2)c1.
What is the InChIKey of 2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[2-(3-methoxyphenyl)ethyl]phenol?
The InChIKey is LUXDHEOYGQPBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O5/c1-34-25-5-3-4-20(16-25)10-15-26-27(17-21-6-11-23(31)12-7-21)29(33)19-30(35-2)28(26)18-22-8-13-24(32)14-9-22/h3-9,11-14,16,19,31-33H,10,15,17-18H2,1-2H3.
What are the key properties of 2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[2-(3-methoxyphenyl)ethyl]phenol?
2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[2-(3-methoxyphenyl)ethyl]phenol has a molecular weight of 470.57 g/mol, XLogP of 5.79, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[2-(3-methoxyphenyl)ethyl]phenol is sourced from PubChem (CID 87579315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).