1,4-diethoxy-2-propan-2-ylbenzene

C13H20O2 — CID 129196403

IUPAC1,4-diethoxy-2-propan-2-ylbenzene
SMILESCCOc1ccc(OCC)c(C(C)C)c1
InChIInChI=1S/C13H20O2/c1-5-14-11-7-8-13(15-6-2)12(9-11)10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyGGTSCTHHMDQSJO-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.61
Rot. Bonds5

About 1,4-diethoxy-2-propan-2-ylbenzene

1,4-diethoxy-2-propan-2-ylbenzene (PubChem CID 129196403) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1,4-diethoxy-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1,4-diethoxy-2-propan-2-ylbenzene
PubChem CID129196403
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1,4-diethoxy-2-propan-2-ylbenzene
SMILESCCOc1ccc(OCC)c(C(C)C)c1
InChIInChI=1S/C13H20O2/c1-5-14-11-7-8-13(15-6-2)12(9-11)10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyGGTSCTHHMDQSJO-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorobutan-2-yl)-1,4-diethoxybenzene
CID 83942775
3-(2,5-diethoxyphenyl)butane-1-thiol
CID 83942774
6-(2,5-diethoxyphenyl)heptan-3-amine
CID 83942784
(1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol
CID 54307372
(1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 66517495
1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 77131156
1-chloro-1-(2,5-diethoxyphenyl)propan-2-one
CID 166641878
4-ethoxy-2-methoxy-1-propan-2-ylbenzene
CID 176811601
4-(2,5-diethoxyphenyl)pentan-1-amine
CID 83942835
4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene
CID 21466253
4-(2,5-diethoxyphenyl)pentanenitrile
CID 83942836
1,4-diethoxy-2-(3-methylhept-4-yn-2-yl)benzene
CID 83942853

Frequently Asked Questions

What is the IUPAC name of 1,4-diethoxy-2-propan-2-ylbenzene?
The IUPAC name of 1,4-diethoxy-2-propan-2-ylbenzene (CID 129196403) is 1,4-diethoxy-2-propan-2-ylbenzene.
What is the SMILES notation for 1,4-diethoxy-2-propan-2-ylbenzene?
The canonical SMILES for 1,4-diethoxy-2-propan-2-ylbenzene is CCOc1ccc(OCC)c(C(C)C)c1.
What is the InChIKey of 1,4-diethoxy-2-propan-2-ylbenzene?
The InChIKey is GGTSCTHHMDQSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-14-11-7-8-13(15-6-2)12(9-11)10(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 1,4-diethoxy-2-propan-2-ylbenzene?
1,4-diethoxy-2-propan-2-ylbenzene has a molecular weight of 208.30 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethoxy-2-propan-2-ylbenzene is sourced from PubChem (CID 129196403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).