3-ethyl-4-(4-methylphenyl)phenol;formamide;methyl 2-[(2-methylpropan-2-yl)oxy]acetate

C23H33NO5 — CID 162757870

IUPAC3-ethyl-4-(4-methylphenyl)phenol;formamide;methyl 2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCCc1cc(O)ccc1-c1ccc(C)cc1.COC(=O)COC(C)(C)C.NC=O
InChIInChI=1S/C15H16O.C7H14O3.CH3NO/c1-3-12-10-14(16)8-9-15(12)13-6-4-11(2)5-7-13;1-7(2,3)10-5-6(8)9-4;2-1-3/h4-10,16H,3H2,1-2H3;5H2,1-4H3;1H,(H2,2,3)
InChIKeyJZAIERNBRFMDAO-UHFFFAOYSA-N
MW403.52 g/mol
LogP4.01
Rot. Bonds4

About 3-ethyl-4-(4-methylphenyl)phenol;formamide;methyl 2-[(2-methylpropan-2-yl)oxy]acetate

3-ethyl-4-(4-methylphenyl)phenol;formamide;methyl 2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 162757870) has the molecular formula C23H33NO5 and a molecular weight of 403.52 g/mol. Its IUPAC name is 3-ethyl-4-(4-methylphenyl)phenol;formamide;methyl 2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

Compound Name3-ethyl-4-(4-methylphenyl)phenol;formamide;methyl 2-[(2-methylpropan-2-yl)oxy]acetate
PubChem CID162757870
Molecular FormulaC23H33NO5
Molecular Weight403.52 g/mol
Exact Mass403.24
IUPAC Name3-ethyl-4-(4-methylphenyl)phenol;formamide;methyl 2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCCc1cc(O)ccc1-c1ccc(C)cc1.COC(=O)COC(C)(C)C.NC=O
InChIInChI=1S/C15H16O.C7H14O3.CH3NO/c1-3-12-10-14(16)8-9-15(12)13-6-4-11(2)5-7-13;1-7(2,3)10-5-6(8)9-4;2-1-3/h4-10,16H,3H2,1-2H3;5H2,1-4H3;1H,(H2,2,3)
InChIKeyJZAIERNBRFMDAO-UHFFFAOYSA-N
XLogP4.01
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[5-[5-hydroxy-2-(4-methylphenyl)phenyl]-3,3-dimethoxypentyl]-4-(4-methylphenyl)phenol
CID 134510323
methyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 84657776
methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate
CID 69115976
methyl 2-[3-ethyl-4-[4-[[2-formyl-3-hydroxy-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]acetate
CID 86617408
methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356355
3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol
CID 139457480
4-(4-bromo-2-ethylphenyl)phenol
CID 118355100
butan-2-one;ethane;2-(methoxymethyl)-4-methyl-1-(4-methylphenyl)benzene
CID 142999553
methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
methyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate
CID 174377629
3-(2,2-dimethylpropyl)-4-phenylphenol
CID 91175347
ethyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 118437547

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(4-methylphenyl)phenol;formamide;methyl 2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of 3-ethyl-4-(4-methylphenyl)phenol;formamide;methyl 2-[(2-methylpropan-2-yl)oxy]acetate (CID 162757870) is 3-ethyl-4-(4-methylphenyl)phenol;formamide;methyl 2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for 3-ethyl-4-(4-methylphenyl)phenol;formamide;methyl 2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for 3-ethyl-4-(4-methylphenyl)phenol;formamide;methyl 2-[(2-methylpropan-2-yl)oxy]acetate is CCc1cc(O)ccc1-c1ccc(C)cc1.COC(=O)COC(C)(C)C.NC=O.
What is the InChIKey of 3-ethyl-4-(4-methylphenyl)phenol;formamide;methyl 2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is JZAIERNBRFMDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C7H14O3.CH3NO/c1-3-12-10-14(16)8-9-15(12)13-6-4-11(2)5-7-13;1-7(2,3)10-5-6(8)9-4;2-1-3/h4-10,16H,3H2,1-2H3;5H2,1-4H3;1H,(H2,2,3).
What are the key properties of 3-ethyl-4-(4-methylphenyl)phenol;formamide;methyl 2-[(2-methylpropan-2-yl)oxy]acetate?
3-ethyl-4-(4-methylphenyl)phenol;formamide;methyl 2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 403.52 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(4-methylphenyl)phenol;formamide;methyl 2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 162757870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).