[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylbutanoate

C20H20O4 — CID 22976556

IUPAC[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylbutanoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(OC(=O)C(C)CC)cc2)cc1
InChIInChI=1S/C20H20O4/c1-4-14(3)20(22)24-18-12-8-16(9-13-18)15-6-10-17(11-7-15)23-19(21)5-2/h5-14H,2,4H2,1,3H3
InChIKeyDZQXHFNQAFQODW-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.40
Rot. Bonds6

About [4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylbutanoate

[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylbutanoate (PubChem CID 22976556) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is [4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylbutanoate.

Molecular Properties

Compound Name[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylbutanoate
PubChem CID22976556
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylbutanoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(OC(=O)C(C)CC)cc2)cc1
InChIInChI=1S/C20H20O4/c1-4-14(3)20(22)24-18-12-8-16(9-13-18)15-6-10-17(11-7-15)23-19(21)5-2/h5-14H,2,4H2,1,3H3
InChIKeyDZQXHFNQAFQODW-UHFFFAOYSA-N
XLogP4.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylphenyl) (2S)-2-methylbutanoate
CID 18638110
[4-[4-(4-methoxyphenyl)phenyl]phenyl] 2-methylbutanoate
CID 22974655
[4-(4-carbonochloridoylphenyl)phenyl] 2-methylbutanoate
CID 139602116
(4-hydroxyphenyl) 2-methylbutanoate
CID 14573373
2-[4-[4-(2-methylbutoxy)phenyl]phenoxy]ethyl prop-2-enoate
CID 20566726
[4-[4-[N-methyl-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 22089909
4-(2-methylbutanoyloxy)benzenesulfonate
CID 58391899
[4-[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914
[4-(4-octadecoxyphenyl)phenyl] prop-2-enoate
CID 122382243
phenyl 2-methylbutanoate;trimethylalumane
CID 155613755
[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 89212422
[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 118680413

Frequently Asked Questions

What is the IUPAC name of [4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylbutanoate?
The IUPAC name of [4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylbutanoate (CID 22976556) is [4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylbutanoate.
What is the SMILES notation for [4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylbutanoate?
The canonical SMILES for [4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylbutanoate is C=CC(=O)Oc1ccc(-c2ccc(OC(=O)C(C)CC)cc2)cc1.
What is the InChIKey of [4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylbutanoate?
The InChIKey is DZQXHFNQAFQODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-4-14(3)20(22)24-18-12-8-16(9-13-18)15-6-10-17(11-7-15)23-19(21)5-2/h5-14H,2,4H2,1,3H3.
What are the key properties of [4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylbutanoate?
[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylbutanoate has a molecular weight of 324.38 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylbutanoate is sourced from PubChem (CID 22976556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).