4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane

C24H36O2 — CID 161393125

IUPAC4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane
SMILESC.COc1cc(CCC(C)CCc2ccc(C(C)(C)C)cc2)ccc1O
InChIInChI=1S/C23H32O2.CH4/c1-17(7-9-19-12-15-21(24)22(16-19)25-5)6-8-18-10-13-20(14-11-18)23(2,3)4;/h10-17,24H,6-9H2,1-5H3;1H4
InChIKeyVTGGMZKSCHEUNV-UHFFFAOYSA-N
MW356.55 g/mol
LogP6.54
Rot. Bonds7

About 4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane

4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane (PubChem CID 161393125) has the molecular formula C24H36O2 and a molecular weight of 356.55 g/mol. Its IUPAC name is 4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane.

Molecular Properties

Compound Name4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane
PubChem CID161393125
Molecular FormulaC24H36O2
Molecular Weight356.55 g/mol
Exact Mass356.27
IUPAC Name4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane
SMILESC.COc1cc(CCC(C)CCc2ccc(C(C)(C)C)cc2)ccc1O
InChIInChI=1S/C23H32O2.CH4/c1-17(7-9-19-12-15-21(24)22(16-19)25-5)6-8-18-10-13-20(14-11-18)23(2,3)4;/h10-17,24H,6-9H2,1-5H3;1H4
InChIKeyVTGGMZKSCHEUNV-UHFFFAOYSA-N
XLogP6.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol
CID 71276956
4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol;ethane
CID 144539772
1,7-bis(4-hydroxy-3-methoxyphenyl)-4,4-dimethylheptane-3,5-diol
CID 163420206
2-methoxy-4-[(3S)-3-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]pentyl]phenol
CID 147848254
4-(3-aminobutyl)-2-methoxyphenol chloride
CID 45108613
4-(3-ethylpentyl)-2-methoxyphenol
CID 142654270
(3R,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
CID 10883331
4-[5-(2-fluoro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol
CID 158597970
4-[3-[2-(3,4-dichlorophenyl)propan-2-ylamino]butyl]-2-methoxyphenol
CID 71276995
2-methoxy-4-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
CID 71277050
1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one
CID 71334151
4-(4-tert-butylphenyl)-2-methylbutan-1-ol
CID 64666507

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane?
The IUPAC name of 4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane (CID 161393125) is 4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane.
What is the SMILES notation for 4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane?
The canonical SMILES for 4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane is C.COc1cc(CCC(C)CCc2ccc(C(C)(C)C)cc2)ccc1O.
What is the InChIKey of 4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane?
The InChIKey is VTGGMZKSCHEUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2.CH4/c1-17(7-9-19-12-15-21(24)22(16-19)25-5)6-8-18-10-13-20(14-11-18)23(2,3)4;/h10-17,24H,6-9H2,1-5H3;1H4.
What are the key properties of 4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane?
4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane has a molecular weight of 356.55 g/mol, XLogP of 6.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane is sourced from PubChem (CID 161393125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).