2-[[3-[(5-cyclopropyl-2-hydroxyphenyl)methoxy]-5-[(5-ethyl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-4-ethylphenol

C34H36O6 — CID 134444305

IUPAC2-[[3-[(5-cyclopropyl-2-hydroxyphenyl)methoxy]-5-[(5-ethyl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-4-ethylphenol
SMILESCCc1ccc(O)c(COc2cc(OCc3cc(CC)ccc3O)cc(OCc3cc(C4CC4)ccc3O)c2)c1
InChIInChI=1S/C34H36O6/c1-3-22-5-10-32(35)26(13-22)19-38-29-16-30(39-20-27-14-23(4-2)6-11-33(27)36)18-31(17-29)40-21-28-15-25(24-7-8-24)9-12-34(28)37/h5-6,9-18,24,35-37H,3-4,7-8,19-21H2,1-2H3
InChIKeyPHLMOKKJIGEVNH-UHFFFAOYSA-N
MW540.66 g/mol
LogP7.54
Rot. Bonds12

About 2-[[3-[(5-cyclopropyl-2-hydroxyphenyl)methoxy]-5-[(5-ethyl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-4-ethylphenol

2-[[3-[(5-cyclopropyl-2-hydroxyphenyl)methoxy]-5-[(5-ethyl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-4-ethylphenol (PubChem CID 134444305) has the molecular formula C34H36O6 and a molecular weight of 540.66 g/mol. Its IUPAC name is 2-[[3-[(5-cyclopropyl-2-hydroxyphenyl)methoxy]-5-[(5-ethyl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-4-ethylphenol.

Molecular Properties

Compound Name2-[[3-[(5-cyclopropyl-2-hydroxyphenyl)methoxy]-5-[(5-ethyl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-4-ethylphenol
PubChem CID134444305
Molecular FormulaC34H36O6
Molecular Weight540.66 g/mol
Exact Mass540.25
IUPAC Name2-[[3-[(5-cyclopropyl-2-hydroxyphenyl)methoxy]-5-[(5-ethyl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-4-ethylphenol
SMILESCCc1ccc(O)c(COc2cc(OCc3cc(CC)ccc3O)cc(OCc3cc(C4CC4)ccc3O)c2)c1
InChIInChI=1S/C34H36O6/c1-3-22-5-10-32(35)26(13-22)19-38-29-16-30(39-20-27-14-23(4-2)6-11-33(27)36)18-31(17-29)40-21-28-15-25(24-7-8-24)9-12-34(28)37/h5-6,9-18,24,35-37H,3-4,7-8,19-21H2,1-2H3
InChIKeyPHLMOKKJIGEVNH-UHFFFAOYSA-N
XLogP7.54
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.66
LogP ≤ 57.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[3-[(5-cyclopropyl-2-hydroxyphenyl)methoxy]-5-[(5-ethyl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-4-ethylphenol with MolForge

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Related Compounds

4-cyclopropyl-2-ethylphenol
CID 22039039
2-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene
CID 167219024
4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 3843205
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]naphthalene
CID 139862906
2-prop-2-enyl-4-(4-propylcyclohexyl)phenol
CID 57348500
4-cyclopropyl-2-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenol
CID 175933225
2-ethyl-6-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene
CID 139863616
1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
CID 118908560
4-(4-cyclohexylphenoxy)-2-propylphenol
CID 21466147
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
4-cyclopropyl-2-(methoxymethyl)-1-methylbenzene
CID 58134240

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(5-cyclopropyl-2-hydroxyphenyl)methoxy]-5-[(5-ethyl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-4-ethylphenol?
The IUPAC name of 2-[[3-[(5-cyclopropyl-2-hydroxyphenyl)methoxy]-5-[(5-ethyl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-4-ethylphenol (CID 134444305) is 2-[[3-[(5-cyclopropyl-2-hydroxyphenyl)methoxy]-5-[(5-ethyl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-4-ethylphenol.
What is the SMILES notation for 2-[[3-[(5-cyclopropyl-2-hydroxyphenyl)methoxy]-5-[(5-ethyl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-4-ethylphenol?
The canonical SMILES for 2-[[3-[(5-cyclopropyl-2-hydroxyphenyl)methoxy]-5-[(5-ethyl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-4-ethylphenol is CCc1ccc(O)c(COc2cc(OCc3cc(CC)ccc3O)cc(OCc3cc(C4CC4)ccc3O)c2)c1.
What is the InChIKey of 2-[[3-[(5-cyclopropyl-2-hydroxyphenyl)methoxy]-5-[(5-ethyl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-4-ethylphenol?
The InChIKey is PHLMOKKJIGEVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36O6/c1-3-22-5-10-32(35)26(13-22)19-38-29-16-30(39-20-27-14-23(4-2)6-11-33(27)36)18-31(17-29)40-21-28-15-25(24-7-8-24)9-12-34(28)37/h5-6,9-18,24,35-37H,3-4,7-8,19-21H2,1-2H3.
What are the key properties of 2-[[3-[(5-cyclopropyl-2-hydroxyphenyl)methoxy]-5-[(5-ethyl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-4-ethylphenol?
2-[[3-[(5-cyclopropyl-2-hydroxyphenyl)methoxy]-5-[(5-ethyl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-4-ethylphenol has a molecular weight of 540.66 g/mol, XLogP of 7.54, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(5-cyclopropyl-2-hydroxyphenyl)methoxy]-5-[(5-ethyl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-4-ethylphenol is sourced from PubChem (CID 134444305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).