[3-ethyl-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol

C23H32O7 — CID 23116291

IUPAC[3-ethyl-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol
SMILESCCc1c(OCOC)cc(OCOC)c(C(O)c2ccc(OC)cc2)c1CCOC
InChIInChI=1S/C23H32O7/c1-6-18-19(11-12-25-2)22(23(24)16-7-9-17(28-5)10-8-16)21(30-15-27-4)13-20(18)29-14-26-3/h7-10,13,23-24H,6,11-12,14-15H2,1-5H3
InChIKeyVLXPAZUQGYSEML-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.49
Rot. Bonds13

About [3-ethyl-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol

[3-ethyl-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol (PubChem CID 23116291) has the molecular formula C23H32O7 and a molecular weight of 420.50 g/mol. Its IUPAC name is [3-ethyl-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[3-ethyl-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol
PubChem CID23116291
Molecular FormulaC23H32O7
Molecular Weight420.50 g/mol
Exact Mass420.21
IUPAC Name[3-ethyl-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol
SMILESCCc1c(OCOC)cc(OCOC)c(C(O)c2ccc(OC)cc2)c1CCOC
InChIInChI=1S/C23H32O7/c1-6-18-19(11-12-25-2)22(23(24)16-7-9-17(28-5)10-8-16)21(30-15-27-4)13-20(18)29-14-26-3/h7-10,13,23-24H,6,11-12,14-15H2,1-5H3
InChIKeyVLXPAZUQGYSEML-UHFFFAOYSA-N
XLogP3.49
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 [3-ethyl-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol?
The IUPAC name of [3-ethyl-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol (CID 23116291) is [3-ethyl-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol.
What is the SMILES notation for [3-ethyl-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol?
The canonical SMILES for [3-ethyl-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol is CCc1c(OCOC)cc(OCOC)c(C(O)c2ccc(OC)cc2)c1CCOC.
What is the InChIKey of [3-ethyl-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol?
The InChIKey is VLXPAZUQGYSEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O7/c1-6-18-19(11-12-25-2)22(23(24)16-7-9-17(28-5)10-8-16)21(30-15-27-4)13-20(18)29-14-26-3/h7-10,13,23-24H,6,11-12,14-15H2,1-5H3.
What are the key properties of [3-ethyl-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol?
[3-ethyl-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol has a molecular weight of 420.50 g/mol, XLogP of 3.49, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol is sourced from PubChem (CID 23116291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).