2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate

C18H15ClO4 — CID 15789891

IUPAC2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(-c2ccc(C(=O)Cl)cc2)cc1
InChIInChI=1S/C18H15ClO4/c1-2-17(20)23-12-11-22-16-9-7-14(8-10-16)13-3-5-15(6-4-13)18(19)21/h2-10H,1,11-12H2
InChIKeyGWOLUVYZHKTIBW-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.84
Rot. Bonds7

About 2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate

2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate (PubChem CID 15789891) has the molecular formula C18H15ClO4 and a molecular weight of 330.77 g/mol. Its IUPAC name is 2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate
PubChem CID15789891
Molecular FormulaC18H15ClO4
Molecular Weight330.77 g/mol
Exact Mass330.07
IUPAC Name2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(-c2ccc(C(=O)Cl)cc2)cc1
InChIInChI=1S/C18H15ClO4/c1-2-17(20)23-12-11-22-16-9-7-14(8-10-16)13-3-5-15(6-4-13)18(19)21/h2-10H,1,11-12H2
InChIKeyGWOLUVYZHKTIBW-UHFFFAOYSA-N
XLogP3.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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

methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
[4-[4-(2-prop-2-enoyloxyethoxy)phenyl]phenyl]boronic acid
CID 162702389
methyl 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate
CID 58785395
4-[4-[4-[4-(2-prop-2-enoyloxyethoxy)phenyl]phenyl]sulfanylcarbonylphenoxy]butyl prop-2-enoate
CID 155241438
2-[4-(4-nitrophenyl)phenoxy]ethyl prop-2-enoate
CID 139922179
6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate
CID 20588637
[4-(4-cyanophenyl)phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;(4-cyanophenyl) 4-(2-prop-2-enoyloxyethoxy)benzoate
CID 162222921
2-(4-bromophenoxy)ethyl prop-2-enoate
CID 141115524
2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate
CID 67393291
[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate
CID 118547337

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate (CID 15789891) is 2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1ccc(-c2ccc(C(=O)Cl)cc2)cc1.
What is the InChIKey of 2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate?
The InChIKey is GWOLUVYZHKTIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO4/c1-2-17(20)23-12-11-22-16-9-7-14(8-10-16)13-3-5-15(6-4-13)18(19)21/h2-10H,1,11-12H2.
What are the key properties of 2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate?
2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate has a molecular weight of 330.77 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 15789891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).