4-[5-(2-fluoro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol

C20H25FO2 — CID 158597970

IUPAC4-[5-(2-fluoro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol
SMILESCOc1cc(CCC(C)CCc2ccc(C)cc2F)ccc1O
InChIInChI=1S/C20H25FO2/c1-14(5-9-17-10-6-15(2)12-18(17)21)4-7-16-8-11-19(22)20(13-16)23-3/h6,8,10-14,22H,4-5,7,9H2,1-3H3
InChIKeyHVGSEQXLZGYLSX-UHFFFAOYSA-N
MW316.42 g/mol
LogP5.05
Rot. Bonds7

About 4-[5-(2-fluoro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol

4-[5-(2-fluoro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol (PubChem CID 158597970) has the molecular formula C20H25FO2 and a molecular weight of 316.42 g/mol. Its IUPAC name is 4-[5-(2-fluoro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[5-(2-fluoro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol
PubChem CID158597970
Molecular FormulaC20H25FO2
Molecular Weight316.42 g/mol
Exact Mass316.18
IUPAC Name4-[5-(2-fluoro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol
SMILESCOc1cc(CCC(C)CCc2ccc(C)cc2F)ccc1O
InChIInChI=1S/C20H25FO2/c1-14(5-9-17-10-6-15(2)12-18(17)21)4-7-16-8-11-19(22)20(13-16)23-3/h6,8,10-14,22H,4-5,7,9H2,1-3H3
InChIKeyHVGSEQXLZGYLSX-UHFFFAOYSA-N
XLogP5.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[5-(2-fluoro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-4-[(3S)-3-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]pentyl]phenol
CID 147848254
4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane
CID 161393125
4-(3-aminobutyl)-2-methoxyphenol chloride
CID 45108613
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
(3R,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
CID 10883331
4-(3-ethylpentyl)-2-methoxyphenol
CID 142654270
1,7-bis(4-hydroxy-3-methoxyphenyl)-4,4-dimethylheptane-3,5-diol
CID 163420206
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol
CID 83320633
ethyl 2-hydroxy-4-(4-hydroxy-3-methoxyphenyl)butanoate
CID 21224421
2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81348669
4-(2-iodopropyl)-2-methoxyphenol
CID 89111818
2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol
CID 10806259

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-fluoro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol?
The IUPAC name of 4-[5-(2-fluoro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol (CID 158597970) is 4-[5-(2-fluoro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol.
What is the SMILES notation for 4-[5-(2-fluoro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol?
The canonical SMILES for 4-[5-(2-fluoro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol is COc1cc(CCC(C)CCc2ccc(C)cc2F)ccc1O.
What is the InChIKey of 4-[5-(2-fluoro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol?
The InChIKey is HVGSEQXLZGYLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FO2/c1-14(5-9-17-10-6-15(2)12-18(17)21)4-7-16-8-11-19(22)20(13-16)23-3/h6,8,10-14,22H,4-5,7,9H2,1-3H3.
What are the key properties of 4-[5-(2-fluoro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol?
4-[5-(2-fluoro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol has a molecular weight of 316.42 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-fluoro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol is sourced from PubChem (CID 158597970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).