1-(4-ethylphenyl)-3-methylidenepentan-1-one

C14H18O — CID 66044562

IUPAC1-(4-ethylphenyl)-3-methylidenepentan-1-one
SMILESC=C(CC)CC(=O)c1ccc(CC)cc1
InChIInChI=1S/C14H18O/c1-4-11(3)10-14(15)13-8-6-12(5-2)7-9-13/h6-9H,3-5,10H2,1-2H3
InChIKeyKBRSEMQQJHELMR-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.79
Rot. Bonds5

About 1-(4-ethylphenyl)-3-methylidenepentan-1-one

1-(4-ethylphenyl)-3-methylidenepentan-1-one (PubChem CID 66044562) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-methylidenepentan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-methylidenepentan-1-one
PubChem CID66044562
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-(4-ethylphenyl)-3-methylidenepentan-1-one
SMILESC=C(CC)CC(=O)c1ccc(CC)cc1
InChIInChI=1S/C14H18O/c1-4-11(3)10-14(15)13-8-6-12(5-2)7-9-13/h6-9H,3-5,10H2,1-2H3
InChIKeyKBRSEMQQJHELMR-UHFFFAOYSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methylidene-1-[4-(trifluoromethoxy)phenyl]pentan-1-one
CID 115781206
1-(4-ethylphenyl)hexane-1,3-dione
CID 61393286
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
1-(4-ethylphenyl)-2-methylidenebutan-1-one
CID 139929668
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 18428800
2-amino-1-(4-ethylphenyl)ethanone
CID 19427259
1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione
CID 18428768
ethane;4-ethyl-N-hydroxybenzamide
CID 142831550
4-ethylbenzoic acid;formaldehyde
CID 155718391
1-(4-ethylphenyl)ethanone;propanamide
CID 142891370
1-[4-(4-ethylphenyl)phenyl]-4,4,4-trifluorobutane-1,3-dione
CID 20503065
3-(ethylamino)-1-(4-ethylphenyl)propan-1-one
CID 94255299

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-methylidenepentan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-3-methylidenepentan-1-one (CID 66044562) is 1-(4-ethylphenyl)-3-methylidenepentan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-3-methylidenepentan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-3-methylidenepentan-1-one is C=C(CC)CC(=O)c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-methylidenepentan-1-one?
The InChIKey is KBRSEMQQJHELMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-4-11(3)10-14(15)13-8-6-12(5-2)7-9-13/h6-9H,3-5,10H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-3-methylidenepentan-1-one?
1-(4-ethylphenyl)-3-methylidenepentan-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-methylidenepentan-1-one is sourced from PubChem (CID 66044562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).