1,2,3,4-tetramethyl-5-propoxybenzene

C13H20O — CID 143028127

IUPAC1,2,3,4-tetramethyl-5-propoxybenzene
SMILESCCCOc1cc(C)c(C)c(C)c1C
InChIInChI=1S/C13H20O/c1-6-7-14-13-8-9(2)10(3)11(4)12(13)5/h8H,6-7H2,1-5H3
InChIKeyPLCADGHFIBMPDN-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.71
Rot. Bonds3

About 1,2,3,4-tetramethyl-5-propoxybenzene

1,2,3,4-tetramethyl-5-propoxybenzene (PubChem CID 143028127) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1,2,3,4-tetramethyl-5-propoxybenzene.

Molecular Properties

Compound Name1,2,3,4-tetramethyl-5-propoxybenzene
PubChem CID143028127
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1,2,3,4-tetramethyl-5-propoxybenzene
SMILESCCCOc1cc(C)c(C)c(C)c1C
InChIInChI=1S/C13H20O/c1-6-7-14-13-8-9(2)10(3)11(4)12(13)5/h8H,6-7H2,1-5H3
InChIKeyPLCADGHFIBMPDN-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3,6-trimethyl-4-propoxyphenyl)propan-1-ol
CID 82266357
2,3,6,7,10,11-hexapropoxytriphenylene
CID 15531608
4,5-dimethyl-2-propoxyphenol
CID 82053946
2,3,6,7-tetrapropoxyanthracene
CID 102343273
ethyl 2-oxo-2-(2,3,6-trimethyl-4-propoxyphenyl)acetate
CID 82552592
2-[2-(2,3,6-trimethyl-4-propoxyphenyl)ethyl]propane-1,3-diamine
CID 83939555
5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine
CID 83939600
triphenyl-[(2,3,6-trimethyl-4-propoxyphenyl)methyl]phosphanium
CID 86735910
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
1,2,3,4,5-pentapropoxybenzene
CID 91365553
3-chloro-2,4-dimethyl-6-propoxyaniline
CID 82053375
2,5-dibutoxy-3,6-dimethylphenol
CID 90435242

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethyl-5-propoxybenzene?
The IUPAC name of 1,2,3,4-tetramethyl-5-propoxybenzene (CID 143028127) is 1,2,3,4-tetramethyl-5-propoxybenzene.
What is the SMILES notation for 1,2,3,4-tetramethyl-5-propoxybenzene?
The canonical SMILES for 1,2,3,4-tetramethyl-5-propoxybenzene is CCCOc1cc(C)c(C)c(C)c1C.
What is the InChIKey of 1,2,3,4-tetramethyl-5-propoxybenzene?
The InChIKey is PLCADGHFIBMPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-6-7-14-13-8-9(2)10(3)11(4)12(13)5/h8H,6-7H2,1-5H3.
What are the key properties of 1,2,3,4-tetramethyl-5-propoxybenzene?
1,2,3,4-tetramethyl-5-propoxybenzene has a molecular weight of 192.30 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethyl-5-propoxybenzene is sourced from PubChem (CID 143028127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).