6-(4-formylphenoxy)hexyl prop-2-enoate;methanol

C17H24O5 — CID 145059918

IUPAC6-(4-formylphenoxy)hexyl prop-2-enoate;methanol
SMILESC=CC(=O)OCCCCCCOc1ccc(C=O)cc1.CO
InChIInChI=1S/C16H20O4.CH4O/c1-2-16(18)20-12-6-4-3-5-11-19-15-9-7-14(13-17)8-10-15;1-2/h2,7-10,13H,1,3-6,11-12H2;2H,1H3
InChIKeyFLVPUXNAWVFQKY-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.78
Rot. Bonds10

About 6-(4-formylphenoxy)hexyl prop-2-enoate;methanol

6-(4-formylphenoxy)hexyl prop-2-enoate;methanol (PubChem CID 145059918) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is 6-(4-formylphenoxy)hexyl prop-2-enoate;methanol.

Molecular Properties

Compound Name6-(4-formylphenoxy)hexyl prop-2-enoate;methanol
PubChem CID145059918
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name6-(4-formylphenoxy)hexyl prop-2-enoate;methanol
SMILESC=CC(=O)OCCCCCCOc1ccc(C=O)cc1.CO
InChIInChI=1S/C16H20O4.CH4O/c1-2-16(18)20-12-6-4-3-5-11-19-15-9-7-14(13-17)8-10-15;1-2/h2,7-10,13H,1,3-6,11-12H2;2H,1H3
InChIKeyFLVPUXNAWVFQKY-UHFFFAOYSA-N
XLogP2.78
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

12-(4-formylphenoxy)dodecyl prop-2-enoate
CID 174341299
3-[4-(12-prop-2-enoyloxydodecoxy)phenyl]prop-2-enoic acid
CID 67554557
4-(4-hydroxyphenoxy)butyl prop-2-enoate
CID 20566713
(E)-3-[4-(4-prop-2-enoyloxybutoxy)phenyl]prop-2-enoic acid
CID 11208514
4-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 18942550
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate
CID 91409634
6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 134454514
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate
CID 20588637
6-[4-[(4-decoxyphenyl)iminomethyl]phenoxy]hexyl prop-2-enoate
CID 102071844

Frequently Asked Questions

What is the IUPAC name of 6-(4-formylphenoxy)hexyl prop-2-enoate;methanol?
The IUPAC name of 6-(4-formylphenoxy)hexyl prop-2-enoate;methanol (CID 145059918) is 6-(4-formylphenoxy)hexyl prop-2-enoate;methanol.
What is the SMILES notation for 6-(4-formylphenoxy)hexyl prop-2-enoate;methanol?
The canonical SMILES for 6-(4-formylphenoxy)hexyl prop-2-enoate;methanol is C=CC(=O)OCCCCCCOc1ccc(C=O)cc1.CO.
What is the InChIKey of 6-(4-formylphenoxy)hexyl prop-2-enoate;methanol?
The InChIKey is FLVPUXNAWVFQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4.CH4O/c1-2-16(18)20-12-6-4-3-5-11-19-15-9-7-14(13-17)8-10-15;1-2/h2,7-10,13H,1,3-6,11-12H2;2H,1H3.
What are the key properties of 6-(4-formylphenoxy)hexyl prop-2-enoate;methanol?
6-(4-formylphenoxy)hexyl prop-2-enoate;methanol has a molecular weight of 308.37 g/mol, XLogP of 2.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-formylphenoxy)hexyl prop-2-enoate;methanol is sourced from PubChem (CID 145059918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).