1-(4-ethoxyphenyl)dodecan-1-one

C20H32O2 — CID 146006535

IUPAC1-(4-ethoxyphenyl)dodecan-1-one
SMILESCCCCCCCCCCCC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C20H32O2/c1-3-5-6-7-8-9-10-11-12-13-20(21)18-14-16-19(17-15-18)22-4-2/h14-17H,3-13H2,1-2H3
InChIKeyKWERBTLGZLXAMS-UHFFFAOYSA-N
MW304.47 g/mol
LogP6.19
Rot. Bonds13

About 1-(4-ethoxyphenyl)dodecan-1-one

1-(4-ethoxyphenyl)dodecan-1-one (PubChem CID 146006535) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)dodecan-1-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)dodecan-1-one
PubChem CID146006535
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name1-(4-ethoxyphenyl)dodecan-1-one
SMILESCCCCCCCCCCCC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C20H32O2/c1-3-5-6-7-8-9-10-11-12-13-20(21)18-14-16-19(17-15-18)22-4-2/h14-17H,3-13H2,1-2H3
InChIKeyKWERBTLGZLXAMS-UHFFFAOYSA-N
XLogP6.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
1-[4-(4-octadecanoylphenoxy)phenyl]octadecan-1-one
CID 71345622
1-[4-(2-hydroxyethoxy)phenyl]decan-1-one
CID 43833904
2-(4-nonanoylphenoxy)acetic acid
CID 139757126
2-(4-decanoylphenoxy)acetic acid
CID 606645
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
ethyl 6-(4-heptoxyphenyl)-6-oxohexanoate
CID 24727585
1-(4-cyclopropyloxyphenyl)nonan-1-one
CID 115812846
1-(4-ethoxyphenyl)-4-(methylamino)butan-1-one
CID 116555513
4-ethoxy-1-(4-ethoxyphenyl)butan-1-one
CID 105093941

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)dodecan-1-one?
The IUPAC name of 1-(4-ethoxyphenyl)dodecan-1-one (CID 146006535) is 1-(4-ethoxyphenyl)dodecan-1-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)dodecan-1-one?
The canonical SMILES for 1-(4-ethoxyphenyl)dodecan-1-one is CCCCCCCCCCCC(=O)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)dodecan-1-one?
The InChIKey is KWERBTLGZLXAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-3-5-6-7-8-9-10-11-12-13-20(21)18-14-16-19(17-15-18)22-4-2/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)dodecan-1-one?
1-(4-ethoxyphenyl)dodecan-1-one has a molecular weight of 304.47 g/mol, XLogP of 6.19, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)dodecan-1-one is sourced from PubChem (CID 146006535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).