4-(3-ethylheptyl)-3-(2-ethylhexyl)-2-methoxyphenol

C24H42O2 — CID 123669477

IUPAC4-(3-ethylheptyl)-3-(2-ethylhexyl)-2-methoxyphenol
SMILESCCCCC(CC)CCc1ccc(O)c(OC)c1CC(CC)CCCC
InChIInChI=1S/C24H42O2/c1-6-10-12-19(8-3)14-15-21-16-17-23(25)24(26-5)22(21)18-20(9-4)13-11-7-2/h16-17,19-20,25H,6-15,18H2,1-5H3
InChIKeyACKVKLZDSPIWCI-UHFFFAOYSA-N
MW362.60 g/mol
LogP7.31
Rot. Bonds14

About 4-(3-ethylheptyl)-3-(2-ethylhexyl)-2-methoxyphenol

4-(3-ethylheptyl)-3-(2-ethylhexyl)-2-methoxyphenol (PubChem CID 123669477) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 4-(3-ethylheptyl)-3-(2-ethylhexyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(3-ethylheptyl)-3-(2-ethylhexyl)-2-methoxyphenol
PubChem CID123669477
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name4-(3-ethylheptyl)-3-(2-ethylhexyl)-2-methoxyphenol
SMILESCCCCC(CC)CCc1ccc(O)c(OC)c1CC(CC)CCCC
InChIInChI=1S/C24H42O2/c1-6-10-12-19(8-3)14-15-21-16-17-23(25)24(26-5)22(21)18-20(9-4)13-11-7-2/h16-17,19-20,25H,6-15,18H2,1-5H3
InChIKeyACKVKLZDSPIWCI-UHFFFAOYSA-N
XLogP7.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-ethylheptyl)-3-(2-ethylhexyl)-2-methoxy-6-propan-2-ylphenol
CID 22607973
4-(2-ethylhexyl)benzene-1,2,3-triol
CID 58275156
3-ethyl-2-methoxy-4-propylphenol
CID 67547848
5-hydroxy-1-(4-hydroxy-3-methoxy-2-pentylphenyl)octan-3-one
CID 162922446
2-(2-ethylhexoxy)-3,4-bis(2-ethylhexyl)benzoic acid
CID 174999561
1,2-bis(2-ethylhexyl)-3-nonylbenzene
CID 91541157
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 68964957
3,4-bis(3-ethylheptyl)thiophene
CID 134458192
2-(2-ethylhexyl)-3-methoxy-1H-pyrrole
CID 162020150
3-(3-ethylheptyl)-2-hydroxybenzoic acid
CID 70566395
2,4-bis(2-ethylhexyl)benzene-1,3-dicarboxylate
CID 22020305

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylheptyl)-3-(2-ethylhexyl)-2-methoxyphenol?
The IUPAC name of 4-(3-ethylheptyl)-3-(2-ethylhexyl)-2-methoxyphenol (CID 123669477) is 4-(3-ethylheptyl)-3-(2-ethylhexyl)-2-methoxyphenol.
What is the SMILES notation for 4-(3-ethylheptyl)-3-(2-ethylhexyl)-2-methoxyphenol?
The canonical SMILES for 4-(3-ethylheptyl)-3-(2-ethylhexyl)-2-methoxyphenol is CCCCC(CC)CCc1ccc(O)c(OC)c1CC(CC)CCCC.
What is the InChIKey of 4-(3-ethylheptyl)-3-(2-ethylhexyl)-2-methoxyphenol?
The InChIKey is ACKVKLZDSPIWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-6-10-12-19(8-3)14-15-21-16-17-23(25)24(26-5)22(21)18-20(9-4)13-11-7-2/h16-17,19-20,25H,6-15,18H2,1-5H3.
What are the key properties of 4-(3-ethylheptyl)-3-(2-ethylhexyl)-2-methoxyphenol?
4-(3-ethylheptyl)-3-(2-ethylhexyl)-2-methoxyphenol has a molecular weight of 362.60 g/mol, XLogP of 7.31, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylheptyl)-3-(2-ethylhexyl)-2-methoxyphenol is sourced from PubChem (CID 123669477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).