1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene

C18H22O4 — CID 174438503

IUPAC1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene
SMILESCOc1cc(CCc2ccccc2)c(OC)c(OC)c1OC
InChIInChI=1S/C18H22O4/c1-19-15-12-14(11-10-13-8-6-5-7-9-13)16(20-2)18(22-4)17(15)21-3/h5-9,12H,10-11H2,1-4H3
InChIKeyQTZYTHXECNCLSY-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.51
Rot. Bonds7

About 1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene

1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene (PubChem CID 174438503) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene.

Molecular Properties

Compound Name1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene
PubChem CID174438503
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene
SMILESCOc1cc(CCc2ccccc2)c(OC)c(OC)c1OC
InChIInChI=1S/C18H22O4/c1-19-15-12-14(11-10-13-8-6-5-7-9-13)16(20-2)18(22-4)17(15)21-3/h5-9,12H,10-11H2,1-4H3
InChIKeyQTZYTHXECNCLSY-UHFFFAOYSA-N
XLogP3.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
4,5-dimethoxy-2-(2-phenylethyl)phenol
CID 174923457
3-benzyl-5,6,7-trimethoxy-2-(2-phenylethyl)quinoline
CID 56949568
2-methoxy-1-nitro-4-(2-phenylethyl)naphthalene
CID 13239131
phenyl 5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyridine-3-carboxylate
CID 175169197
1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone
CID 135057699
1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone
CID 102035798
2,3-dimethoxy-5-(5-phenylpentyl)aniline
CID 71371223
2-fluoro-4-methoxy-5-(2-phenylethyl)aniline
CID 58021975
2-benzyl-1-methoxy-3-(2-phenylethyl)benzene
CID 173327548
1-(2-phenylethyl)-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine-1,4-diium;dihydrochloride
CID 126958369
1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 171715581

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene?
The IUPAC name of 1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene (CID 174438503) is 1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene.
What is the SMILES notation for 1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene?
The canonical SMILES for 1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene is COc1cc(CCc2ccccc2)c(OC)c(OC)c1OC.
What is the InChIKey of 1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene?
The InChIKey is QTZYTHXECNCLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-19-15-12-14(11-10-13-8-6-5-7-9-13)16(20-2)18(22-4)17(15)21-3/h5-9,12H,10-11H2,1-4H3.
What are the key properties of 1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene?
1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene has a molecular weight of 302.37 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene is sourced from PubChem (CID 174438503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).