2-(3-methoxyphenyl)-1,3,5-trimethylbenzene

C16H18O — CID 66916575

IUPAC2-(3-methoxyphenyl)-1,3,5-trimethylbenzene
SMILESCOc1cccc(-c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C16H18O/c1-11-8-12(2)16(13(3)9-11)14-6-5-7-15(10-14)17-4/h5-10H,1-4H3
InChIKeyCHNUGMPGNRNWMO-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.29
Rot. Bonds2

About 2-(3-methoxyphenyl)-1,3,5-trimethylbenzene

2-(3-methoxyphenyl)-1,3,5-trimethylbenzene (PubChem CID 66916575) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1,3,5-trimethylbenzene
PubChem CID66916575
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name2-(3-methoxyphenyl)-1,3,5-trimethylbenzene
SMILESCOc1cccc(-c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C16H18O/c1-11-8-12(2)16(13(3)9-11)14-6-5-7-15(10-14)17-4/h5-10H,1-4H3
InChIKeyCHNUGMPGNRNWMO-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dimethoxyphenyl)-1,3,5-trimethylbenzene
CID 132567017
CID 160733224
CID 160733224
1,3,5-trichloro-2-(3-methoxyphenyl)benzene
CID 57304526
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran
CID 134310060
2-(3-methoxyphenyl)-1,4-dimethylbenzene
CID 66641424
3-(3-methoxyphenyl)-5-methylphenol
CID 53218837
2-(3-methoxyphenyl)-3-methylbenzonitrile
CID 172915337
3-methoxy-4-(3-methoxyphenyl)-5-methylbenzoic acid
CID 54308818
[3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868194

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1,3,5-trimethylbenzene?
The IUPAC name of 2-(3-methoxyphenyl)-1,3,5-trimethylbenzene (CID 66916575) is 2-(3-methoxyphenyl)-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-(3-methoxyphenyl)-1,3,5-trimethylbenzene?
The canonical SMILES for 2-(3-methoxyphenyl)-1,3,5-trimethylbenzene is COc1cccc(-c2c(C)cc(C)cc2C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1,3,5-trimethylbenzene?
The InChIKey is CHNUGMPGNRNWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-11-8-12(2)16(13(3)9-11)14-6-5-7-15(10-14)17-4/h5-10H,1-4H3.
What are the key properties of 2-(3-methoxyphenyl)-1,3,5-trimethylbenzene?
2-(3-methoxyphenyl)-1,3,5-trimethylbenzene has a molecular weight of 226.32 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1,3,5-trimethylbenzene is sourced from PubChem (CID 66916575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).