[2-[2-ethyl-3-(2-ethyl-6-methoxyphenyl)-6-methoxyphenyl]-5-methoxyphenyl]methanol

C26H30O4 — CID 102085334

IUPAC[2-[2-ethyl-3-(2-ethyl-6-methoxyphenyl)-6-methoxyphenyl]-5-methoxyphenyl]methanol
SMILESCCc1cccc(OC)c1-c1ccc(OC)c(-c2ccc(OC)cc2CO)c1CC
InChIInChI=1S/C26H30O4/c1-6-17-9-8-10-23(29-4)25(17)22-13-14-24(30-5)26(20(22)7-2)21-12-11-19(28-3)15-18(21)16-27/h8-15,27H,6-7,16H2,1-5H3
InChIKeyIIVYORIARRVGML-UHFFFAOYSA-N
MW406.52 g/mol
LogP5.66
Rot. Bonds8

About [2-[2-ethyl-3-(2-ethyl-6-methoxyphenyl)-6-methoxyphenyl]-5-methoxyphenyl]methanol

[2-[2-ethyl-3-(2-ethyl-6-methoxyphenyl)-6-methoxyphenyl]-5-methoxyphenyl]methanol (PubChem CID 102085334) has the molecular formula C26H30O4 and a molecular weight of 406.52 g/mol. Its IUPAC name is [2-[2-ethyl-3-(2-ethyl-6-methoxyphenyl)-6-methoxyphenyl]-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[2-ethyl-3-(2-ethyl-6-methoxyphenyl)-6-methoxyphenyl]-5-methoxyphenyl]methanol
PubChem CID102085334
Molecular FormulaC26H30O4
Molecular Weight406.52 g/mol
Exact Mass406.21
IUPAC Name[2-[2-ethyl-3-(2-ethyl-6-methoxyphenyl)-6-methoxyphenyl]-5-methoxyphenyl]methanol
SMILESCCc1cccc(OC)c1-c1ccc(OC)c(-c2ccc(OC)cc2CO)c1CC
InChIInChI=1S/C26H30O4/c1-6-17-9-8-10-23(29-4)25(17)22-13-14-24(30-5)26(20(22)7-2)21-12-11-19(28-3)15-18(21)16-27/h8-15,27H,6-7,16H2,1-5H3
InChIKeyIIVYORIARRVGML-UHFFFAOYSA-N
XLogP5.66
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.52
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde
CID 134898371
1-ethyl-2,3-bis(4-methoxyphenyl)benzene
CID 54211857
3-(2-chloro-4-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-4-ethyl-1H-pyrrole-2-carboxylic acid
CID 146350288
(5-ethoxy-2-methoxyphenyl)methanol
CID 82643938
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
2-(2-ethyl-6-methoxyphenyl)ethanol
CID 143738643
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
[2-[(2,5-dimethoxyphenyl)methyl]-3-pyridinyl]methanol
CID 10658939
(2-(111C)methoxyphenyl)methanol
CID 59897789
[6-(2,6-diethylphenyl)-4-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 59678353
3-amino-5-(2,4-dimethoxyphenyl)-4-ethylthiophene-2-carboxylic acid
CID 83036757
2-(2,5-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7992499

Frequently Asked Questions

What is the IUPAC name of [2-[2-ethyl-3-(2-ethyl-6-methoxyphenyl)-6-methoxyphenyl]-5-methoxyphenyl]methanol?
The IUPAC name of [2-[2-ethyl-3-(2-ethyl-6-methoxyphenyl)-6-methoxyphenyl]-5-methoxyphenyl]methanol (CID 102085334) is [2-[2-ethyl-3-(2-ethyl-6-methoxyphenyl)-6-methoxyphenyl]-5-methoxyphenyl]methanol.
What is the SMILES notation for [2-[2-ethyl-3-(2-ethyl-6-methoxyphenyl)-6-methoxyphenyl]-5-methoxyphenyl]methanol?
The canonical SMILES for [2-[2-ethyl-3-(2-ethyl-6-methoxyphenyl)-6-methoxyphenyl]-5-methoxyphenyl]methanol is CCc1cccc(OC)c1-c1ccc(OC)c(-c2ccc(OC)cc2CO)c1CC.
What is the InChIKey of [2-[2-ethyl-3-(2-ethyl-6-methoxyphenyl)-6-methoxyphenyl]-5-methoxyphenyl]methanol?
The InChIKey is IIVYORIARRVGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O4/c1-6-17-9-8-10-23(29-4)25(17)22-13-14-24(30-5)26(20(22)7-2)21-12-11-19(28-3)15-18(21)16-27/h8-15,27H,6-7,16H2,1-5H3.
What are the key properties of [2-[2-ethyl-3-(2-ethyl-6-methoxyphenyl)-6-methoxyphenyl]-5-methoxyphenyl]methanol?
[2-[2-ethyl-3-(2-ethyl-6-methoxyphenyl)-6-methoxyphenyl]-5-methoxyphenyl]methanol has a molecular weight of 406.52 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-ethyl-3-(2-ethyl-6-methoxyphenyl)-6-methoxyphenyl]-5-methoxyphenyl]methanol is sourced from PubChem (CID 102085334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).