(Z)-1-[3-(3-methoxypropoxy)-4-methylphenyl]-4-methylpent-2-en-1-one

C17H24O3 — CID 70830480

IUPAC(Z)-1-[3-(3-methoxypropoxy)-4-methylphenyl]-4-methylpent-2-en-1-one
SMILESCOCCCOc1cc(C(=O)/C=C\C(C)C)ccc1C
InChIInChI=1S/C17H24O3/c1-13(2)6-9-16(18)15-8-7-14(3)17(12-15)20-11-5-10-19-4/h6-9,12-13H,5,10-11H2,1-4H3/b9-6-
InChIKeyVIECDCBCIONSHC-TWGQIWQCSA-N
MW276.38 g/mol
LogP3.81
Rot. Bonds8

About (Z)-1-[3-(3-methoxypropoxy)-4-methylphenyl]-4-methylpent-2-en-1-one

(Z)-1-[3-(3-methoxypropoxy)-4-methylphenyl]-4-methylpent-2-en-1-one (PubChem CID 70830480) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (Z)-1-[3-(3-methoxypropoxy)-4-methylphenyl]-4-methylpent-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-[3-(3-methoxypropoxy)-4-methylphenyl]-4-methylpent-2-en-1-one
PubChem CID70830480
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(Z)-1-[3-(3-methoxypropoxy)-4-methylphenyl]-4-methylpent-2-en-1-one
SMILESCOCCCOc1cc(C(=O)/C=C\C(C)C)ccc1C
InChIInChI=1S/C17H24O3/c1-13(2)6-9-16(18)15-8-7-14(3)17(12-15)20-11-5-10-19-4/h6-9,12-13H,5,10-11H2,1-4H3/b9-6-
InChIKeyVIECDCBCIONSHC-TWGQIWQCSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-methoxypropoxy)ethoxy]-4-methylbenzoic acid
CID 103177358
4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene
CID 59177328
4-(3-methoxypropoxy)-3-methylbenzoic acid
CID 62703570
4-iodo-2-(3-methoxypropoxy)-1-methylbenzene
CID 143499905
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide
CID 59224071
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
[4-methoxy-3-(3-methoxypropoxy)benzoyl]chloranium
CID 147794030
2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 103184405
[3-(3-methoxypropoxy)-4-methylphenyl]methanamine
CID 107655823
(E)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]-3-(3-methylphenyl)prop-2-en-1-one
CID 52644018
(E)-1-(4-fluorophenyl)-4-methylpent-2-en-1-one
CID 14300275

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[3-(3-methoxypropoxy)-4-methylphenyl]-4-methylpent-2-en-1-one?
The IUPAC name of (Z)-1-[3-(3-methoxypropoxy)-4-methylphenyl]-4-methylpent-2-en-1-one (CID 70830480) is (Z)-1-[3-(3-methoxypropoxy)-4-methylphenyl]-4-methylpent-2-en-1-one.
What is the SMILES notation for (Z)-1-[3-(3-methoxypropoxy)-4-methylphenyl]-4-methylpent-2-en-1-one?
The canonical SMILES for (Z)-1-[3-(3-methoxypropoxy)-4-methylphenyl]-4-methylpent-2-en-1-one is COCCCOc1cc(C(=O)/C=C\C(C)C)ccc1C.
What is the InChIKey of (Z)-1-[3-(3-methoxypropoxy)-4-methylphenyl]-4-methylpent-2-en-1-one?
The InChIKey is VIECDCBCIONSHC-TWGQIWQCSA-N. The full InChI is InChI=1S/C17H24O3/c1-13(2)6-9-16(18)15-8-7-14(3)17(12-15)20-11-5-10-19-4/h6-9,12-13H,5,10-11H2,1-4H3/b9-6-.
What are the key properties of (Z)-1-[3-(3-methoxypropoxy)-4-methylphenyl]-4-methylpent-2-en-1-one?
(Z)-1-[3-(3-methoxypropoxy)-4-methylphenyl]-4-methylpent-2-en-1-one has a molecular weight of 276.38 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[3-(3-methoxypropoxy)-4-methylphenyl]-4-methylpent-2-en-1-one is sourced from PubChem (CID 70830480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).