1-ethoxy-4-ethyl-2,5-dimethylbenzene

C12H18O — CID 84761080

IUPAC1-ethoxy-4-ethyl-2,5-dimethylbenzene
SMILESCCOc1cc(C)c(CC)cc1C
InChIInChI=1S/C12H18O/c1-5-11-7-10(4)12(13-6-2)8-9(11)3/h7-8H,5-6H2,1-4H3
InChIKeyCVNBZDGMWOLHNH-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.26
Rot. Bonds3

About 1-ethoxy-4-ethyl-2,5-dimethylbenzene

1-ethoxy-4-ethyl-2,5-dimethylbenzene (PubChem CID 84761080) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-ethoxy-4-ethyl-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-ethoxy-4-ethyl-2,5-dimethylbenzene
PubChem CID84761080
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-ethoxy-4-ethyl-2,5-dimethylbenzene
SMILESCCOc1cc(C)c(CC)cc1C
InChIInChI=1S/C12H18O/c1-5-11-7-10(4)12(13-6-2)8-9(11)3/h7-8H,5-6H2,1-4H3
InChIKeyCVNBZDGMWOLHNH-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene
CID 58065697
2-(2,5-diethoxy-4-methylphenyl)acetic acid
CID 4286018
ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate
CID 110780864
ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate
CID 82350381
1-ethoxy-2,5-dimethyl-4-[(Z)-pent-3-enyl]benzene
CID 83940881
5-(4-ethoxy-2,5-dimethylphenyl)pentanenitrile
CID 98014651
2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane
CID 83940889
(2-ethoxy-4,5-dimethylphenyl)methanol
CID 131316252
[3-ethoxy-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl] N-methylcarbamate
CID 122649555
1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea
CID 110774931
methyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate
CID 82351673
2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone
CID 82134628

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-ethyl-2,5-dimethylbenzene?
The IUPAC name of 1-ethoxy-4-ethyl-2,5-dimethylbenzene (CID 84761080) is 1-ethoxy-4-ethyl-2,5-dimethylbenzene.
What is the SMILES notation for 1-ethoxy-4-ethyl-2,5-dimethylbenzene?
The canonical SMILES for 1-ethoxy-4-ethyl-2,5-dimethylbenzene is CCOc1cc(C)c(CC)cc1C.
What is the InChIKey of 1-ethoxy-4-ethyl-2,5-dimethylbenzene?
The InChIKey is CVNBZDGMWOLHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-5-11-7-10(4)12(13-6-2)8-9(11)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-ethoxy-4-ethyl-2,5-dimethylbenzene?
1-ethoxy-4-ethyl-2,5-dimethylbenzene has a molecular weight of 178.27 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-ethyl-2,5-dimethylbenzene is sourced from PubChem (CID 84761080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).