1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene

C14H22O — CID 58065697

IUPAC1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene
SMILESCCOc1cc(C)c(CC)cc1C(C)C
InChIInChI=1S/C14H22O/c1-6-12-9-13(10(3)4)14(15-7-2)8-11(12)5/h8-10H,6-7H2,1-5H3
InChIKeyLPTCSQOUFLNZRB-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.08
Rot. Bonds4

About 1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene

1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene (PubChem CID 58065697) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene
PubChem CID58065697
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene
SMILESCCOc1cc(C)c(CC)cc1C(C)C
InChIInChI=1S/C14H22O/c1-6-12-9-13(10(3)4)14(15-7-2)8-11(12)5/h8-10H,6-7H2,1-5H3
InChIKeyLPTCSQOUFLNZRB-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine
CID 82552738
1-ethoxy-4-ethyl-2,5-dimethylbenzene
CID 84761080
1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride
CID 170889656
4-ethoxy-2-methyl-5-propan-2-ylbenzamide
CID 82266051
1-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)ethyl]piperazine
CID 82266066
3-[[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137210333
1-ethyl-2-methyl-5-propan-2-yl-4-propylbenzene
CID 123747776
N-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine
CID 82552720
2-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 77093838
4-cyclopropyl-1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpiperazine
CID 157019220
2-[1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperidin-2-yl]acetic acid
CID 74243559
1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894108

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene?
The IUPAC name of 1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene (CID 58065697) is 1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene.
What is the SMILES notation for 1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene?
The canonical SMILES for 1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene is CCOc1cc(C)c(CC)cc1C(C)C.
What is the InChIKey of 1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene?
The InChIKey is LPTCSQOUFLNZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-6-12-9-13(10(3)4)14(15-7-2)8-11(12)5/h8-10H,6-7H2,1-5H3.
What are the key properties of 1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene?
1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene has a molecular weight of 206.33 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene is sourced from PubChem (CID 58065697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).