4-[(3-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylphenol

C18H22O2 — CID 66642899

IUPAC4-[(3-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylphenol
SMILESCCc1cc(Cc2c(C)cc(O)cc2C)ccc1OC
InChIInChI=1S/C18H22O2/c1-5-15-10-14(6-7-18(15)20-4)11-17-12(2)8-16(19)9-13(17)3/h6-10,19H,5,11H2,1-4H3
InChIKeyLKQDLWSDYKYDPL-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.17
Rot. Bonds4

About 4-[(3-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylphenol

4-[(3-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylphenol (PubChem CID 66642899) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[(3-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name4-[(3-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylphenol
PubChem CID66642899
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name4-[(3-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylphenol
SMILESCCc1cc(Cc2c(C)cc(O)cc2C)ccc1OC
InChIInChI=1S/C18H22O2/c1-5-15-10-14(6-7-18(15)20-4)11-17-12(2)8-16(19)9-13(17)3/h6-10,19H,5,11H2,1-4H3
InChIKeyLKQDLWSDYKYDPL-UHFFFAOYSA-N
XLogP4.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethyl-4-methoxyphenyl)-N'-methylacetohydrazide
CID 116846195
(3-ethyl-4-methoxyphenyl)methanethiol
CID 82125341
ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate
CID 58566699
ethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate
CID 58566780
(4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 117380103
1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine
CID 112513153
2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine
CID 95466138
2-[(5-ethyl-2-methoxyphenyl)methoxy]-N'-methylacetohydrazide
CID 116846743
1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine
CID 82354162
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133450
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide
CID 110788746

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylphenol?
The IUPAC name of 4-[(3-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylphenol (CID 66642899) is 4-[(3-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylphenol.
What is the SMILES notation for 4-[(3-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylphenol?
The canonical SMILES for 4-[(3-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylphenol is CCc1cc(Cc2c(C)cc(O)cc2C)ccc1OC.
What is the InChIKey of 4-[(3-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylphenol?
The InChIKey is LKQDLWSDYKYDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-5-15-10-14(6-7-18(15)20-4)11-17-12(2)8-16(19)9-13(17)3/h6-10,19H,5,11H2,1-4H3.
What are the key properties of 4-[(3-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylphenol?
4-[(3-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylphenol has a molecular weight of 270.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylphenol is sourced from PubChem (CID 66642899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).