4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol

C19H24O2 — CID 58775978

IUPAC4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol
SMILESCCC(CC)(c1ccc(OC)cc1)c1ccc(O)c(C)c1
InChIInChI=1S/C19H24O2/c1-5-19(6-2,15-7-10-17(21-4)11-8-15)16-9-12-18(20)14(3)13-16/h7-13,20H,5-6H2,1-4H3
InChIKeyOVASJVIGTXSKOX-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.82
Rot. Bonds5

About 4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol

4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol (PubChem CID 58775978) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol
PubChem CID58775978
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol
SMILESCCC(CC)(c1ccc(OC)cc1)c1ccc(O)c(C)c1
InChIInChI=1S/C19H24O2/c1-5-19(6-2,15-7-10-17(21-4)11-8-15)16-9-12-18(20)14(3)13-16/h7-13,20H,5-6H2,1-4H3
InChIKeyOVASJVIGTXSKOX-UHFFFAOYSA-N
XLogP4.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol
CID 71712304
4-[3-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-2-methoxyphenol
CID 118523796
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol
CID 22051947
ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol
CID 142882643
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
ethyl 2-[2-(aminomethyl)-4-[3-(4-hydroxy-3-methylphenyl)pentan-3-yl]phenyl]acetate
CID 174546939
4-[(2R)-2-aminobutan-2-yl]-2-methylphenol
CID 131037914
4-[3-[4-(3-hydroxy-3-methylbut-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol
CID 69334425
[4-[3-(4-methoxyphenyl)pentan-3-yl]phenyl] benzoate
CID 22081614
benzene-1,4-diol;methane;4-methoxyphenol;2-methylbenzene-1,4-diol;tritium monohydride
CID 157366045
4-[3-(3,4-dimethylphenyl)pentan-3-yl]-1,2-dimethylbenzene
CID 58775966
4-[2-(4-methoxyphenyl)butan-2-yl]phenol
CID 57308830

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol?
The IUPAC name of 4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol (CID 58775978) is 4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol?
The canonical SMILES for 4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol is CCC(CC)(c1ccc(OC)cc1)c1ccc(O)c(C)c1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol?
The InChIKey is OVASJVIGTXSKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-5-19(6-2,15-7-10-17(21-4)11-8-15)16-9-12-18(20)14(3)13-16/h7-13,20H,5-6H2,1-4H3.
What are the key properties of 4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol?
4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol has a molecular weight of 284.40 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol is sourced from PubChem (CID 58775978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).