1-ethyl-2,3-dimethyl-4-propylbenzene

C13H20 — CID 86110138

IUPAC1-ethyl-2,3-dimethyl-4-propylbenzene
SMILESCCCc1ccc(CC)c(C)c1C
InChIInChI=1S/C13H20/c1-5-7-13-9-8-12(6-2)10(3)11(13)4/h8-9H,5-7H2,1-4H3
InChIKeyMPDORBFEMLBIOH-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.82
Rot. Bonds3

About 1-ethyl-2,3-dimethyl-4-propylbenzene

1-ethyl-2,3-dimethyl-4-propylbenzene (PubChem CID 86110138) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethyl-4-propylbenzene.

Molecular Properties

Compound Name1-ethyl-2,3-dimethyl-4-propylbenzene
PubChem CID86110138
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-ethyl-2,3-dimethyl-4-propylbenzene
SMILESCCCc1ccc(CC)c(C)c1C
InChIInChI=1S/C13H20/c1-5-7-13-9-8-12(6-2)10(3)11(13)4/h8-9H,5-7H2,1-4H3
InChIKeyMPDORBFEMLBIOH-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-3-methyl-1,4-dipropylbenzene
CID 155697581
2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene
CID 59876774
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
azane;1-(chloromethyl)-4-ethyl-2,3-dimethylbenzene
CID 66619297
1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene
CID 145053588
6-amino-2-methyl-3-propylbenzoic acid
CID 91609404
bis(2-methyl-3-propylphenyl)methanone
CID 172692899
4-chloro-1-ethyl-2-propylbenzene
CID 144500548
1-bromo-2-methyl-3-propylbenzene
CID 143344358
1-(1-bromoethyl)-4-ethyl-2,3-dimethylbenzene
CID 174819703
1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene
CID 123581052
2-methyl-3,4-dipropylaniline
CID 70515438

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dimethyl-4-propylbenzene?
The IUPAC name of 1-ethyl-2,3-dimethyl-4-propylbenzene (CID 86110138) is 1-ethyl-2,3-dimethyl-4-propylbenzene.
What is the SMILES notation for 1-ethyl-2,3-dimethyl-4-propylbenzene?
The canonical SMILES for 1-ethyl-2,3-dimethyl-4-propylbenzene is CCCc1ccc(CC)c(C)c1C.
What is the InChIKey of 1-ethyl-2,3-dimethyl-4-propylbenzene?
The InChIKey is MPDORBFEMLBIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-5-7-13-9-8-12(6-2)10(3)11(13)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-ethyl-2,3-dimethyl-4-propylbenzene?
1-ethyl-2,3-dimethyl-4-propylbenzene has a molecular weight of 176.30 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethyl-4-propylbenzene is sourced from PubChem (CID 86110138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).