methane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone

C16H24O4 — CID 161243882

IUPACmethane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone
SMILESC.C=CCOCCOCCOc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H20O4.CH4/c1-3-8-17-9-10-18-11-12-19-15-6-4-14(5-7-15)13(2)16;/h3-7H,1,8-12H2,2H3;1H4
InChIKeyVAJHBAGLFNYQAL-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.12
Rot. Bonds10

About methane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone

methane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone (PubChem CID 161243882) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is methane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Namemethane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone
PubChem CID161243882
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Namemethane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone
SMILESC.C=CCOCCOCCOc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H20O4.CH4/c1-3-8-17-9-10-18-11-12-19-15-6-4-14(5-7-15)13(2)16;/h3-7H,1,8-12H2,2H3;1H4
InChIKeyVAJHBAGLFNYQAL-UHFFFAOYSA-N
XLogP3.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone
CID 20752101
2-methyl-2-prop-2-enoxy-1-[4-(2-prop-2-enoxyethoxy)phenyl]propan-1-one
CID 23436647
1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone
CID 71386650
2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate
CID 163299706
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885
6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate
CID 20588637
1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
CID 112687603
1-[4-(2-ethylsulfanylethoxy)phenyl]ethanone
CID 75372281
1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene
CID 22082109
1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone
CID 176917432
2-(4-acetylphenoxy)ethylboronic acid
CID 130141835
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522

Frequently Asked Questions

What is the IUPAC name of methane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone?
The IUPAC name of methane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone (CID 161243882) is methane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone.
What is the SMILES notation for methane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone?
The canonical SMILES for methane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone is C.C=CCOCCOCCOc1ccc(C(C)=O)cc1.
What is the InChIKey of methane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone?
The InChIKey is VAJHBAGLFNYQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4.CH4/c1-3-8-17-9-10-18-11-12-19-15-6-4-14(5-7-15)13(2)16;/h3-7H,1,8-12H2,2H3;1H4.
What are the key properties of methane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone?
methane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone has a molecular weight of 280.36 g/mol, XLogP of 3.12, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone is sourced from PubChem (CID 161243882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).