butyl prop-2-enoate;2-hydroxy-1,2-diphenylethanone;methoxymethane

C23H30O5 — CID 174584403

IUPACbutyl prop-2-enoate;2-hydroxy-1,2-diphenylethanone;methoxymethane
SMILESC=CC(=O)OCCCC.COC.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H12O2.C7H12O2.C2H6O/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-3-5-6-9-7(8)4-2;1-3-2/h1-10,13,15H;4H,2-3,5-6H2,1H3;1-2H3
InChIKeySZAMCTIKMMXFIZ-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.38
Rot. Bonds7

About butyl prop-2-enoate;2-hydroxy-1,2-diphenylethanone;methoxymethane

butyl prop-2-enoate;2-hydroxy-1,2-diphenylethanone;methoxymethane (PubChem CID 174584403) has the molecular formula C23H30O5 and a molecular weight of 386.49 g/mol. Its IUPAC name is butyl prop-2-enoate;2-hydroxy-1,2-diphenylethanone;methoxymethane.

Molecular Properties

Compound Namebutyl prop-2-enoate;2-hydroxy-1,2-diphenylethanone;methoxymethane
PubChem CID174584403
Molecular FormulaC23H30O5
Molecular Weight386.49 g/mol
Exact Mass386.21
IUPAC Namebutyl prop-2-enoate;2-hydroxy-1,2-diphenylethanone;methoxymethane
SMILESC=CC(=O)OCCCC.COC.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H12O2.C7H12O2.C2H6O/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-3-5-6-9-7(8)4-2;1-3-2/h1-10,13,15H;4H,2-3,5-6H2,1H3;1-2H3
InChIKeySZAMCTIKMMXFIZ-UHFFFAOYSA-N
XLogP4.38
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

butyl prop-2-enoate;1,2-xylene
CID 70409011
[4-(2-hydroxy-2-phenylacetyl)phenyl] prop-2-enoate;methoxymethane
CID 175164297
hexyl carbamate;2-hydroxy-1,2-diphenylethanone
CID 138541446
butyl prop-2-enoate;styrene
CID 68545727
bis(butyl prop-2-enoate);styrene
CID 175337841
2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid
CID 57368066
1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene
CID 6454035
2-hydroxy-1,2-diphenylethanone;nonan-5-one
CID 69310835
styrene;tridecyl prop-2-enoate
CID 70120047
butyl prop-2-enoate;2-ethenyl-1,4-difluorobenzene;styrene
CID 122130554
2-hydroxy-1,2-diphenylethanone;propanoic acid
CID 159329247
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021

Frequently Asked Questions

What is the IUPAC name of butyl prop-2-enoate;2-hydroxy-1,2-diphenylethanone;methoxymethane?
The IUPAC name of butyl prop-2-enoate;2-hydroxy-1,2-diphenylethanone;methoxymethane (CID 174584403) is butyl prop-2-enoate;2-hydroxy-1,2-diphenylethanone;methoxymethane.
What is the SMILES notation for butyl prop-2-enoate;2-hydroxy-1,2-diphenylethanone;methoxymethane?
The canonical SMILES for butyl prop-2-enoate;2-hydroxy-1,2-diphenylethanone;methoxymethane is C=CC(=O)OCCCC.COC.O=C(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of butyl prop-2-enoate;2-hydroxy-1,2-diphenylethanone;methoxymethane?
The InChIKey is SZAMCTIKMMXFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C7H12O2.C2H6O/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-3-5-6-9-7(8)4-2;1-3-2/h1-10,13,15H;4H,2-3,5-6H2,1H3;1-2H3.
What are the key properties of butyl prop-2-enoate;2-hydroxy-1,2-diphenylethanone;methoxymethane?
butyl prop-2-enoate;2-hydroxy-1,2-diphenylethanone;methoxymethane has a molecular weight of 386.49 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl prop-2-enoate;2-hydroxy-1,2-diphenylethanone;methoxymethane is sourced from PubChem (CID 174584403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).