2-methoxy-4-[(3S)-3-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]pentyl]phenol

C21H25F3O2 — CID 147848254

IUPAC2-methoxy-4-[(3S)-3-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]pentyl]phenol
SMILESCOc1cc(CC[C@@H](C)CCc2ccc(C(F)(F)F)c(C)c2)ccc1O
InChIInChI=1S/C21H25F3O2/c1-14(5-7-17-9-11-19(25)20(13-17)26-3)4-6-16-8-10-18(15(2)12-16)21(22,23)24/h8-14,25H,4-7H2,1-3H3/t14-/m0/s1
InChIKeyHUHZNYNEESLSIC-AWEZNQCLSA-N
MW366.42 g/mol
LogP5.93
Rot. Bonds7

About 2-methoxy-4-[(3S)-3-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]pentyl]phenol

2-methoxy-4-[(3S)-3-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]pentyl]phenol (PubChem CID 147848254) has the molecular formula C21H25F3O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-methoxy-4-[(3S)-3-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]pentyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(3S)-3-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]pentyl]phenol
PubChem CID147848254
Molecular FormulaC21H25F3O2
Molecular Weight366.42 g/mol
Exact Mass366.18
IUPAC Name2-methoxy-4-[(3S)-3-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]pentyl]phenol
SMILESCOc1cc(CC[C@@H](C)CCc2ccc(C(F)(F)F)c(C)c2)ccc1O
InChIInChI=1S/C21H25F3O2/c1-14(5-7-17-9-11-19(25)20(13-17)26-3)4-6-16-8-10-18(15(2)12-16)21(22,23)24/h8-14,25H,4-7H2,1-3H3/t14-/m0/s1
InChIKeyHUHZNYNEESLSIC-AWEZNQCLSA-N
XLogP5.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane
CID 161393125
4-[5-(2-fluoro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol
CID 158597970
4-(3-aminobutyl)-2-methoxyphenol chloride
CID 45108613
2-methoxy-4-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
CID 71277050
1,7-bis(4-hydroxy-3-methoxyphenyl)-4,4-dimethylheptane-3,5-diol
CID 163420206
(3R,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
CID 10883331
4-(3-ethylpentyl)-2-methoxyphenol
CID 142654270
ethyl 2-hydroxy-4-(4-hydroxy-3-methoxyphenyl)butanoate
CID 21224421
4-[5-(3-chloro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol;4-[5-(3-chlorophenyl)-3-methylpentyl]-2-methoxyphenol;bis(2-methoxy-4-[3-methyl-5-(4-methylphenyl)pentyl]phenol)
CID 158545241
ethane;2-methoxy-4-propylphenol
CID 144852330
2-methoxy-4-(2-methylbutyl)-1-(trifluoromethyl)benzene
CID 177016098
4-(fluoromethyl)-2-methoxyphenol
CID 84650348

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(3S)-3-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]pentyl]phenol?
The IUPAC name of 2-methoxy-4-[(3S)-3-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]pentyl]phenol (CID 147848254) is 2-methoxy-4-[(3S)-3-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]pentyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(3S)-3-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]pentyl]phenol?
The canonical SMILES for 2-methoxy-4-[(3S)-3-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]pentyl]phenol is COc1cc(CC[C@@H](C)CCc2ccc(C(F)(F)F)c(C)c2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(3S)-3-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]pentyl]phenol?
The InChIKey is HUHZNYNEESLSIC-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H25F3O2/c1-14(5-7-17-9-11-19(25)20(13-17)26-3)4-6-16-8-10-18(15(2)12-16)21(22,23)24/h8-14,25H,4-7H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-methoxy-4-[(3S)-3-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]pentyl]phenol?
2-methoxy-4-[(3S)-3-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]pentyl]phenol has a molecular weight of 366.42 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(3S)-3-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]pentyl]phenol is sourced from PubChem (CID 147848254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).