(4-propan-2-ylphenyl) (E)-3-naphthalen-1-ylprop-2-enoate

C22H20O2 — CID 6301876

IUPAC(4-propan-2-ylphenyl) (E)-3-naphthalen-1-ylprop-2-enoate
SMILESCC(C)c1ccc(OC(=O)/C=C/c2cccc3ccccc23)cc1
InChIInChI=1S/C22H20O2/c1-16(2)17-10-13-20(14-11-17)24-22(23)15-12-19-8-5-7-18-6-3-4-9-21(18)19/h3-16H,1-2H3/b15-12+
InChIKeyNKOBTKFMLCDGFA-NTCAYCPXSA-N
MW316.40 g/mol
LogP5.58
Rot. Bonds4

About (4-propan-2-ylphenyl) (E)-3-naphthalen-1-ylprop-2-enoate

(4-propan-2-ylphenyl) (E)-3-naphthalen-1-ylprop-2-enoate (PubChem CID 6301876) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (4-propan-2-ylphenyl) (E)-3-naphthalen-1-ylprop-2-enoate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl) (E)-3-naphthalen-1-ylprop-2-enoate
PubChem CID6301876
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name(4-propan-2-ylphenyl) (E)-3-naphthalen-1-ylprop-2-enoate
SMILESCC(C)c1ccc(OC(=O)/C=C/c2cccc3ccccc23)cc1
InChIInChI=1S/C22H20O2/c1-16(2)17-10-13-20(14-11-17)24-22(23)15-12-19-8-5-7-18-6-3-4-9-21(18)19/h3-16H,1-2H3/b15-12+
InChIKeyNKOBTKFMLCDGFA-NTCAYCPXSA-N
XLogP5.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

ethyl 4-[(E)-3-naphthalen-1-ylprop-2-enoyl]oxybenzoate
CID 6234523
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
(4-propan-2-ylphenyl) (Z)-4-amino-4-oxobut-2-enoate
CID 67832284
N-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide
CID 927198
(4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 19181737
1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 2880362
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
1-[(E)-3,3-bis(4-methoxyphenyl)prop-1-enyl]naphthalene
CID 101000722
(E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one
CID 6143927
(E)-3-naphthalen-1-yl-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]prop-2-enamide
CID 6234730
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 8873088
methyl 3-(6-phenylmethoxynaphthalen-1-yl)prop-2-enoate
CID 91160431

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl) (E)-3-naphthalen-1-ylprop-2-enoate?
The IUPAC name of (4-propan-2-ylphenyl) (E)-3-naphthalen-1-ylprop-2-enoate (CID 6301876) is (4-propan-2-ylphenyl) (E)-3-naphthalen-1-ylprop-2-enoate.
What is the SMILES notation for (4-propan-2-ylphenyl) (E)-3-naphthalen-1-ylprop-2-enoate?
The canonical SMILES for (4-propan-2-ylphenyl) (E)-3-naphthalen-1-ylprop-2-enoate is CC(C)c1ccc(OC(=O)/C=C/c2cccc3ccccc23)cc1.
What is the InChIKey of (4-propan-2-ylphenyl) (E)-3-naphthalen-1-ylprop-2-enoate?
The InChIKey is NKOBTKFMLCDGFA-NTCAYCPXSA-N. The full InChI is InChI=1S/C22H20O2/c1-16(2)17-10-13-20(14-11-17)24-22(23)15-12-19-8-5-7-18-6-3-4-9-21(18)19/h3-16H,1-2H3/b15-12+.
What are the key properties of (4-propan-2-ylphenyl) (E)-3-naphthalen-1-ylprop-2-enoate?
(4-propan-2-ylphenyl) (E)-3-naphthalen-1-ylprop-2-enoate has a molecular weight of 316.40 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl) (E)-3-naphthalen-1-ylprop-2-enoate is sourced from PubChem (CID 6301876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).