ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol

C23H34O2 — CID 142882643

IUPACethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol
SMILESCC.CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
InChIInChI=1S/C21H28O2.C2H6/c1-5-11-21(12-6-2,17-7-9-19(22)15(3)13-17)18-8-10-20(23)16(4)14-18;1-2/h7-10,13-14,22-23H,5-6,11-12H2,1-4H3;1-2H3
InChIKeyQAFPVGUUCXWKBW-UHFFFAOYSA-N
MW342.52 g/mol
LogP6.63
Rot. Bonds6

About ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol

ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol (PubChem CID 142882643) has the molecular formula C23H34O2 and a molecular weight of 342.52 g/mol. Its IUPAC name is ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol.

Molecular Properties

Compound Nameethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol
PubChem CID142882643
Molecular FormulaC23H34O2
Molecular Weight342.52 g/mol
Exact Mass342.26
IUPAC Nameethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol
SMILESCC.CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
InChIInChI=1S/C21H28O2.C2H6/c1-5-11-21(12-6-2,17-7-9-19(22)15(3)13-17)18-8-10-20(23)16(4)14-18;1-2/h7-10,13-14,22-23H,5-6,11-12H2,1-4H3;1-2H3
InChIKeyQAFPVGUUCXWKBW-UHFFFAOYSA-N
XLogP6.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1,1-bis(4-hydroxy-3-methylphenyl)pentyl]-2-methylphenol
CID 139775367
4-[4-(4-hydroxy-3-propylphenyl)heptan-4-yl]-2-propylphenol
CID 71712434
ethyl 2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]acetate
CID 155549053
4-[3-[4-(3-hydroxy-3-propylhex-1-ynyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol
CID 58598379
4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol
CID 71712304
4-[(2R)-2-aminobutan-2-yl]-2-methylphenol
CID 131037914
4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol
CID 58775978
4-[3,3-bis(4-hydroxy-3,5-dimethylphenyl)-5-(4-hydroxy-3-methylphenyl)pentyl]-2,6-dimethylphenol
CID 134238252
carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium
CID 169320278
2-methyl-4-(trifluoromethyl)phenol;hydrochloride
CID 172689490
2,2-bis(4-hydroxy-3-methylphenyl)butanoic acid
CID 68969545
4-(2-hydrazinylbutan-2-yl)-2-methylphenol
CID 144756619

Frequently Asked Questions

What is the IUPAC name of ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol?
The IUPAC name of ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol (CID 142882643) is ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol.
What is the SMILES notation for ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol?
The canonical SMILES for ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol is CC.CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1.
What is the InChIKey of ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol?
The InChIKey is QAFPVGUUCXWKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2.C2H6/c1-5-11-21(12-6-2,17-7-9-19(22)15(3)13-17)18-8-10-20(23)16(4)14-18;1-2/h7-10,13-14,22-23H,5-6,11-12H2,1-4H3;1-2H3.
What are the key properties of ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol?
ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol has a molecular weight of 342.52 g/mol, XLogP of 6.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol is sourced from PubChem (CID 142882643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).