2-ethyl-1-hex-3-ynyl-4-propoxybenzene

C17H24O — CID 83941846

IUPAC2-ethyl-1-hex-3-ynyl-4-propoxybenzene
SMILESCCC#CCCc1ccc(OCCC)cc1CC
InChIInChI=1S/C17H24O/c1-4-7-8-9-10-16-11-12-17(18-13-5-2)14-15(16)6-3/h11-12,14H,4-6,9-10,13H2,1-3H3
InChIKeySQPMNTXLHHPELZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.38
Rot. Bonds6

About 2-ethyl-1-hex-3-ynyl-4-propoxybenzene

2-ethyl-1-hex-3-ynyl-4-propoxybenzene (PubChem CID 83941846) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-ethyl-1-hex-3-ynyl-4-propoxybenzene.

Molecular Properties

Compound Name2-ethyl-1-hex-3-ynyl-4-propoxybenzene
PubChem CID83941846
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name2-ethyl-1-hex-3-ynyl-4-propoxybenzene
SMILESCCC#CCCc1ccc(OCCC)cc1CC
InChIInChI=1S/C17H24O/c1-4-7-8-9-10-16-11-12-17(18-13-5-2)14-15(16)6-3/h11-12,14H,4-6,9-10,13H2,1-3H3
InChIKeySQPMNTXLHHPELZ-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-ethyl-4-propoxybenzene
CID 21064447
1,4-diethyl-2-hex-3-ynylbenzene
CID 83920971
1,3-bis(hex-3-ynoxy)benzene
CID 91430749
4-hex-3-ynyl-1,2-dipropoxybenzene
CID 83932024
4-(4-ethoxy-2-ethylphenyl)butanenitrile
CID 83941707
2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine
CID 104807530
(2-methylsulfinyl-4-propoxyphenyl)methanol
CID 134112802
2-chloro-1-(2-ethyl-4-propoxyphenyl)ethanone
CID 82267367
1-(3-bromopropyl)-4-ethoxy-2-ethylbenzene
CID 83941643
3-[4-(difluoromethoxy)-2-ethylphenyl]propanenitrile
CID 118818436
1,2-dimethyl-4-propoxybenzene
CID 23549082
3-(4-chloro-3-ethylphenoxy)propanenitrile
CID 43212888

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-hex-3-ynyl-4-propoxybenzene?
The IUPAC name of 2-ethyl-1-hex-3-ynyl-4-propoxybenzene (CID 83941846) is 2-ethyl-1-hex-3-ynyl-4-propoxybenzene.
What is the SMILES notation for 2-ethyl-1-hex-3-ynyl-4-propoxybenzene?
The canonical SMILES for 2-ethyl-1-hex-3-ynyl-4-propoxybenzene is CCC#CCCc1ccc(OCCC)cc1CC.
What is the InChIKey of 2-ethyl-1-hex-3-ynyl-4-propoxybenzene?
The InChIKey is SQPMNTXLHHPELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-4-7-8-9-10-16-11-12-17(18-13-5-2)14-15(16)6-3/h11-12,14H,4-6,9-10,13H2,1-3H3.
What are the key properties of 2-ethyl-1-hex-3-ynyl-4-propoxybenzene?
2-ethyl-1-hex-3-ynyl-4-propoxybenzene has a molecular weight of 244.38 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-hex-3-ynyl-4-propoxybenzene is sourced from PubChem (CID 83941846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).