6-(3,5-diethoxyphenyl)hex-1-en-3-one

C16H22O3 — CID 21485608

IUPAC6-(3,5-diethoxyphenyl)hex-1-en-3-one
SMILESC=CC(=O)CCCc1cc(OCC)cc(OCC)c1
InChIInChI=1S/C16H22O3/c1-4-14(17)9-7-8-13-10-15(18-5-2)12-16(11-13)19-6-3/h4,10-12H,1,5-9H2,2-3H3
InChIKeyWQONVRPYWPXTAR-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.56
Rot. Bonds9

About 6-(3,5-diethoxyphenyl)hex-1-en-3-one

6-(3,5-diethoxyphenyl)hex-1-en-3-one (PubChem CID 21485608) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-(3,5-diethoxyphenyl)hex-1-en-3-one.

Molecular Properties

Compound Name6-(3,5-diethoxyphenyl)hex-1-en-3-one
PubChem CID21485608
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name6-(3,5-diethoxyphenyl)hex-1-en-3-one
SMILESC=CC(=O)CCCc1cc(OCC)cc(OCC)c1
InChIInChI=1S/C16H22O3/c1-4-14(17)9-7-8-13-10-15(18-5-2)12-16(11-13)19-6-3/h4,10-12H,1,5-9H2,2-3H3
InChIKeyWQONVRPYWPXTAR-UHFFFAOYSA-N
XLogP3.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-(4-chlorophenyl)hex-1-en-3-one
CID 145267913
3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]propanamide
CID 21019528
3-ethoxy-5-octadecylphenol
CID 118876083
(3-ethoxyphenyl) prop-2-enoate
CID 54380290
3-[4-(4-ethoxyphenyl)butanoylamino]propanoic acid
CID 82224413
2-(aminomethyl)-7-(3,5-diethoxyphenyl)-4-ethylheptanoic acid
CID 69268808
5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide
CID 90738357
ethyl 5-(3,5-dimethoxyphenyl)pentanoate
CID 66889380
1-(3-ethoxy-5-methoxyphenyl)propan-2-one
CID 166641883
4-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)butanamide
CID 110422258
1-(3-bromopropyl)-3-(difluoromethoxy)-5-ethoxybenzene
CID 118802011
6-(3,5-diethoxyphenoxy)-2-methylidene-6-oxohexanoic acid
CID 91220905

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-diethoxyphenyl)hex-1-en-3-one?
The IUPAC name of 6-(3,5-diethoxyphenyl)hex-1-en-3-one (CID 21485608) is 6-(3,5-diethoxyphenyl)hex-1-en-3-one.
What is the SMILES notation for 6-(3,5-diethoxyphenyl)hex-1-en-3-one?
The canonical SMILES for 6-(3,5-diethoxyphenyl)hex-1-en-3-one is C=CC(=O)CCCc1cc(OCC)cc(OCC)c1.
What is the InChIKey of 6-(3,5-diethoxyphenyl)hex-1-en-3-one?
The InChIKey is WQONVRPYWPXTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-4-14(17)9-7-8-13-10-15(18-5-2)12-16(11-13)19-6-3/h4,10-12H,1,5-9H2,2-3H3.
What are the key properties of 6-(3,5-diethoxyphenyl)hex-1-en-3-one?
6-(3,5-diethoxyphenyl)hex-1-en-3-one has a molecular weight of 262.35 g/mol, XLogP of 3.56, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-diethoxyphenyl)hex-1-en-3-one is sourced from PubChem (CID 21485608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).