4-[4-(4-hydroxyphenyl)-2,3-bis(methoxymethoxy)-5,6-dimethylphenyl]phenol

C24H26O6 — CID 70695837

IUPAC4-[4-(4-hydroxyphenyl)-2,3-bis(methoxymethoxy)-5,6-dimethylphenyl]phenol
SMILESCOCOc1c(OCOC)c(-c2ccc(O)cc2)c(C)c(C)c1-c1ccc(O)cc1
InChIInChI=1S/C24H26O6/c1-15-16(2)22(18-7-11-20(26)12-8-18)24(30-14-28-4)23(29-13-27-3)21(15)17-5-9-19(25)10-6-17/h5-12,25-26H,13-14H2,1-4H3
InChIKeyHHJUVVJNRIBMAO-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.01
Rot. Bonds8

About 4-[4-(4-hydroxyphenyl)-2,3-bis(methoxymethoxy)-5,6-dimethylphenyl]phenol

4-[4-(4-hydroxyphenyl)-2,3-bis(methoxymethoxy)-5,6-dimethylphenyl]phenol (PubChem CID 70695837) has the molecular formula C24H26O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-[4-(4-hydroxyphenyl)-2,3-bis(methoxymethoxy)-5,6-dimethylphenyl]phenol.

Molecular Properties

Compound Name4-[4-(4-hydroxyphenyl)-2,3-bis(methoxymethoxy)-5,6-dimethylphenyl]phenol
PubChem CID70695837
Molecular FormulaC24H26O6
Molecular Weight410.47 g/mol
Exact Mass410.17
IUPAC Name4-[4-(4-hydroxyphenyl)-2,3-bis(methoxymethoxy)-5,6-dimethylphenyl]phenol
SMILESCOCOc1c(OCOC)c(-c2ccc(O)cc2)c(C)c(C)c1-c1ccc(O)cc1
InChIInChI=1S/C24H26O6/c1-15-16(2)22(18-7-11-20(26)12-8-18)24(30-14-28-4)23(29-13-27-3)21(15)17-5-9-19(25)10-6-17/h5-12,25-26H,13-14H2,1-4H3
InChIKeyHHJUVVJNRIBMAO-UHFFFAOYSA-N
XLogP5.01
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxyphenyl)-2,3-bis(methoxymethoxy)-5,6-dimethylphenyl]phenol?
The IUPAC name of 4-[4-(4-hydroxyphenyl)-2,3-bis(methoxymethoxy)-5,6-dimethylphenyl]phenol (CID 70695837) is 4-[4-(4-hydroxyphenyl)-2,3-bis(methoxymethoxy)-5,6-dimethylphenyl]phenol.
What is the SMILES notation for 4-[4-(4-hydroxyphenyl)-2,3-bis(methoxymethoxy)-5,6-dimethylphenyl]phenol?
The canonical SMILES for 4-[4-(4-hydroxyphenyl)-2,3-bis(methoxymethoxy)-5,6-dimethylphenyl]phenol is COCOc1c(OCOC)c(-c2ccc(O)cc2)c(C)c(C)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[4-(4-hydroxyphenyl)-2,3-bis(methoxymethoxy)-5,6-dimethylphenyl]phenol?
The InChIKey is HHJUVVJNRIBMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O6/c1-15-16(2)22(18-7-11-20(26)12-8-18)24(30-14-28-4)23(29-13-27-3)21(15)17-5-9-19(25)10-6-17/h5-12,25-26H,13-14H2,1-4H3.
What are the key properties of 4-[4-(4-hydroxyphenyl)-2,3-bis(methoxymethoxy)-5,6-dimethylphenyl]phenol?
4-[4-(4-hydroxyphenyl)-2,3-bis(methoxymethoxy)-5,6-dimethylphenyl]phenol has a molecular weight of 410.47 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxyphenyl)-2,3-bis(methoxymethoxy)-5,6-dimethylphenyl]phenol is sourced from PubChem (CID 70695837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).