naphthalen-1-yl 3-phenylprop-2-enoate

C19H14O2 — CID 788595

IUPACnaphthalen-1-yl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)Oc1cccc2ccccc12
InChIInChI=1S/C19H14O2/c20-19(14-13-15-7-2-1-3-8-15)21-18-12-6-10-16-9-4-5-11-17(16)18/h1-14H
InChIKeyILDQBAOOYYSRDQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.46
Rot. Bonds3

About naphthalen-1-yl 3-phenylprop-2-enoate

naphthalen-1-yl 3-phenylprop-2-enoate (PubChem CID 788595) has the molecular formula C19H14O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is naphthalen-1-yl 3-phenylprop-2-enoate.

Molecular Properties

Compound Namenaphthalen-1-yl 3-phenylprop-2-enoate
PubChem CID788595
Molecular FormulaC19H14O2
Molecular Weight274.32 g/mol
Exact Mass274.10
IUPAC Namenaphthalen-1-yl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)Oc1cccc2ccccc12
InChIInChI=1S/C19H14O2/c20-19(14-13-15-7-2-1-3-8-15)21-18-12-6-10-16-9-4-5-11-17(16)18/h1-14H
InChIKeyILDQBAOOYYSRDQ-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.46
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

[1-[[2-(3-phenylprop-2-enoyloxy)naphthalen-1-yl]methyl]naphthalen-2-yl] 3-phenylprop-2-enoate
CID 582973
2-(3-phenylprop-2-enoyloxy)naphthalene-1-carboxylic acid
CID 54563578
naphthalen-1-yl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 19167121
[2-(bromomethyl)phenyl] 3-phenylprop-2-enoate
CID 72974963
[2-[(E)-3-[2-(naphthalene-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 126043197
1-O-(2,3-dichlorophenyl) 4-O-naphthalen-1-yl (E)-but-2-enedioate
CID 91718772
(2-carbamoylphenyl) 3-phenylprop-2-enoate
CID 142713579
(2-bromo-3-fluorophenyl) 3-phenylprop-2-enoate
CID 175409204
naphthalen-1-yl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 16548697
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
[4-[(E)-3-[1-[2-[(E)-3-(4-benzoyloxyphenyl)prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxy-3-oxoprop-1-enyl]phenyl] benzoate
CID 146437675
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl 3-phenylprop-2-enoate?
The IUPAC name of naphthalen-1-yl 3-phenylprop-2-enoate (CID 788595) is naphthalen-1-yl 3-phenylprop-2-enoate.
What is the SMILES notation for naphthalen-1-yl 3-phenylprop-2-enoate?
The canonical SMILES for naphthalen-1-yl 3-phenylprop-2-enoate is O=C(C=Cc1ccccc1)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl 3-phenylprop-2-enoate?
The InChIKey is ILDQBAOOYYSRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O2/c20-19(14-13-15-7-2-1-3-8-15)21-18-12-6-10-16-9-4-5-11-17(16)18/h1-14H.
What are the key properties of naphthalen-1-yl 3-phenylprop-2-enoate?
naphthalen-1-yl 3-phenylprop-2-enoate has a molecular weight of 274.32 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl 3-phenylprop-2-enoate is sourced from PubChem (CID 788595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).