1-ethyl-3-methoxy-5-propoxybenzene

C12H18O2 — CID 143260185

IUPAC1-ethyl-3-methoxy-5-propoxybenzene
SMILESCCCOc1cc(CC)cc(OC)c1
InChIInChI=1S/C12H18O2/c1-4-6-14-12-8-10(5-2)7-11(9-12)13-3/h7-9H,4-6H2,1-3H3
InChIKeyCJVOLRHDZSOYRU-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.05
Rot. Bonds5

About 1-ethyl-3-methoxy-5-propoxybenzene

1-ethyl-3-methoxy-5-propoxybenzene (PubChem CID 143260185) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-ethyl-3-methoxy-5-propoxybenzene.

Molecular Properties

Compound Name1-ethyl-3-methoxy-5-propoxybenzene
PubChem CID143260185
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-ethyl-3-methoxy-5-propoxybenzene
SMILESCCCOc1cc(CC)cc(OC)c1
InChIInChI=1S/C12H18O2/c1-4-6-14-12-8-10(5-2)7-11(9-12)13-3/h7-9H,4-6H2,1-3H3
InChIKeyCJVOLRHDZSOYRU-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-docosoxy-5-methoxyphenyl)methanol
CID 155440608
1-butoxy-3-methoxy-5-methylbenzene
CID 118268625
[3-(2-butoxyethoxy)-5-methoxyphenyl]methanamine
CID 103566173
1-tert-butyl-3-ethyl-5-methoxybenzene
CID 154541543
[3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine
CID 103566052
1-butyl-3,5-dimethoxybenzene
CID 524875
2-(3,5-dimethoxyphenoxy)ethanethiol;ethane
CID 144886217
1-(3-bromopropoxy)-3,5-dimethoxybenzene
CID 12959383
N-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine
CID 62597582
[3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine
CID 103566053
ethane;5-methoxy-1,3-dimethyl-2-propoxybenzene
CID 90702699
1-ethyl-3-methoxy-5-(2-methylpropyl)benzene
CID 155459307

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methoxy-5-propoxybenzene?
The IUPAC name of 1-ethyl-3-methoxy-5-propoxybenzene (CID 143260185) is 1-ethyl-3-methoxy-5-propoxybenzene.
What is the SMILES notation for 1-ethyl-3-methoxy-5-propoxybenzene?
The canonical SMILES for 1-ethyl-3-methoxy-5-propoxybenzene is CCCOc1cc(CC)cc(OC)c1.
What is the InChIKey of 1-ethyl-3-methoxy-5-propoxybenzene?
The InChIKey is CJVOLRHDZSOYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-6-14-12-8-10(5-2)7-11(9-12)13-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-ethyl-3-methoxy-5-propoxybenzene?
1-ethyl-3-methoxy-5-propoxybenzene has a molecular weight of 194.27 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methoxy-5-propoxybenzene is sourced from PubChem (CID 143260185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).