naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate

C20H16O3 — CID 886279

IUPACnaphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H16O3/c1-22-18-10-6-15(7-11-18)8-13-20(21)23-19-12-9-16-4-2-3-5-17(16)14-19/h2-14H,1H3/b13-8+
InChIKeyOLSDMMHLFMQBQZ-MDWZMJQESA-N
MW304.35 g/mol
LogP4.47
Rot. Bonds4

About naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate

naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 886279) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namenaphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
PubChem CID886279
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Namenaphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H16O3/c1-22-18-10-6-15(7-11-18)8-13-20(21)23-19-12-9-16-4-2-3-5-17(16)14-19/h2-14H,1H3/b13-8+
InChIKeyOLSDMMHLFMQBQZ-MDWZMJQESA-N
XLogP4.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
(3-hydroxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 101102620
(4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 71945324
[3-iodo-4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyphenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 144703857
[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
CID 51521387
(4-benzoylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 43910920
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
(4-methoxyphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 724777
(4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 1328070
(4-methoxyphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 724778
(4-chloro-3,5-dimethylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 917991
[3-methoxy-4-(3-phenylprop-2-enoyloxy)phenyl] 3-phenylprop-2-enoate
CID 123758297

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate (CID 886279) is naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate is COc1ccc(/C=C/C(=O)Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is OLSDMMHLFMQBQZ-MDWZMJQESA-N. The full InChI is InChI=1S/C20H16O3/c1-22-18-10-6-15(7-11-18)8-13-20(21)23-19-12-9-16-4-2-3-5-17(16)14-19/h2-14H,1H3/b13-8+.
What are the key properties of naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate?
naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 304.35 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 886279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).