2-ethyl-1-(4-propoxyphenyl)hexan-1-one

C17H26O2 — CID 114971018

IUPAC2-ethyl-1-(4-propoxyphenyl)hexan-1-one
SMILESCCCCC(CC)C(=O)c1ccc(OCCC)cc1
InChIInChI=1S/C17H26O2/c1-4-7-8-14(6-3)17(18)15-9-11-16(12-10-15)19-13-5-2/h9-12,14H,4-8,13H2,1-3H3
InChIKeyBOPKDEDZZYPKSE-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.87
Rot. Bonds9

About 2-ethyl-1-(4-propoxyphenyl)hexan-1-one

2-ethyl-1-(4-propoxyphenyl)hexan-1-one (PubChem CID 114971018) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-ethyl-1-(4-propoxyphenyl)hexan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(4-propoxyphenyl)hexan-1-one
PubChem CID114971018
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-ethyl-1-(4-propoxyphenyl)hexan-1-one
SMILESCCCCC(CC)C(=O)c1ccc(OCCC)cc1
InChIInChI=1S/C17H26O2/c1-4-7-8-14(6-3)17(18)15-9-11-16(12-10-15)19-13-5-2/h9-12,14H,4-8,13H2,1-3H3
InChIKeyBOPKDEDZZYPKSE-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylhexanoic acid;4-nonoxybenzoic acid
CID 68744350
2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 595976
(2S,7S)-2,7-bis[bis(2-chloroethyl)aminomethyl]-1,8-bis(4-propoxyphenyl)octane-1,8-dione
CID 99659374
2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione
CID 3078330
[2-(4-butoxybenzoyl)-6-(4-butoxyphenyl)-5-[(dipropylazaniumyl)methyl]-6-oxohexyl]-dipropylazanium dichloride
CID 44658210
2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione;dihydrochloride
CID 3078329
5-amino-2-methyl-1-(4-propoxyphenyl)pentan-1-one
CID 116613497
2-ethyl-1-(4-methoxyphenyl)pentan-1-one
CID 122369816
N-[4-(2-ethylhexanoyl)phenyl]acetamide
CID 43337939
2,2-dichloro-1-(4-pentoxyphenyl)ethanone
CID 82627435
2-(4-butoxybenzoyl)propanedinitrile
CID 113225564
2-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 64540880

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-propoxyphenyl)hexan-1-one?
The IUPAC name of 2-ethyl-1-(4-propoxyphenyl)hexan-1-one (CID 114971018) is 2-ethyl-1-(4-propoxyphenyl)hexan-1-one.
What is the SMILES notation for 2-ethyl-1-(4-propoxyphenyl)hexan-1-one?
The canonical SMILES for 2-ethyl-1-(4-propoxyphenyl)hexan-1-one is CCCCC(CC)C(=O)c1ccc(OCCC)cc1.
What is the InChIKey of 2-ethyl-1-(4-propoxyphenyl)hexan-1-one?
The InChIKey is BOPKDEDZZYPKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-4-7-8-14(6-3)17(18)15-9-11-16(12-10-15)19-13-5-2/h9-12,14H,4-8,13H2,1-3H3.
What are the key properties of 2-ethyl-1-(4-propoxyphenyl)hexan-1-one?
2-ethyl-1-(4-propoxyphenyl)hexan-1-one has a molecular weight of 262.39 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-propoxyphenyl)hexan-1-one is sourced from PubChem (CID 114971018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).