prop-2-enyl (E)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoate

C23H20O3 — CID 91684592

IUPACprop-2-enyl (E)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoate
SMILESC=CCOC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C23H20O3/c1-2-16-25-23(24)15-12-18-10-13-21(14-11-18)26-17-20-8-5-7-19-6-3-4-9-22(19)20/h2-15H,1,16-17H2/b15-12+
InChIKeyLXKGHNJNSBWLBR-NTCAYCPXSA-N
MW344.41 g/mol
LogP5.16
Rot. Bonds7

About prop-2-enyl (E)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoate

prop-2-enyl (E)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoate (PubChem CID 91684592) has the molecular formula C23H20O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is prop-2-enyl (E)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl (E)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoate
PubChem CID91684592
Molecular FormulaC23H20O3
Molecular Weight344.41 g/mol
Exact Mass344.14
IUPAC Nameprop-2-enyl (E)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoate
SMILESC=CCOC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C23H20O3/c1-2-16-25-23(24)15-12-18-10-13-21(14-11-18)26-17-20-8-5-7-19-6-3-4-9-22(19)20/h2-15H,1,16-17H2/b15-12+
InChIKeyLXKGHNJNSBWLBR-NTCAYCPXSA-N
XLogP5.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91684542
(4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7486348
4-(naphthalen-1-ylmethoxy)benzohydrazide
CID 91683225
CID 67883357
CID 67883357
prop-2-ynyl (E)-3-[3-iodo-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoate
CID 91684919
(4-chlorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 4050081
2-chloroethyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 12636996
1-(phenoxymethyl)naphthalene
CID 588110
methyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 17245052
methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate
CID 131847800
prop-2-enyl (E)-3-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate
CID 91684680
(E)-3-(4-ethoxyphenyl)-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide
CID 17227282

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (E)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoate?
The IUPAC name of prop-2-enyl (E)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoate (CID 91684592) is prop-2-enyl (E)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for prop-2-enyl (E)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoate?
The canonical SMILES for prop-2-enyl (E)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoate is C=CCOC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)cc1.
What is the InChIKey of prop-2-enyl (E)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoate?
The InChIKey is LXKGHNJNSBWLBR-NTCAYCPXSA-N. The full InChI is InChI=1S/C23H20O3/c1-2-16-25-23(24)15-12-18-10-13-21(14-11-18)26-17-20-8-5-7-19-6-3-4-9-22(19)20/h2-15H,1,16-17H2/b15-12+.
What are the key properties of prop-2-enyl (E)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoate?
prop-2-enyl (E)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoate has a molecular weight of 344.41 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (E)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 91684592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).