2-(3-phenylprop-2-enoyloxy)naphthalene-1-carboxylic acid

C20H14O4 — CID 54563578

IUPAC2-(3-phenylprop-2-enoyloxy)naphthalene-1-carboxylic acid
SMILESO=C(C=Cc1ccccc1)Oc1ccc2ccccc2c1C(=O)O
InChIInChI=1S/C20H14O4/c21-18(13-10-14-6-2-1-3-7-14)24-17-12-11-15-8-4-5-9-16(15)19(17)20(22)23/h1-13H,(H,22,23)
InChIKeyLVGQFRMMALVFGP-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.16
Rot. Bonds4

About 2-(3-phenylprop-2-enoyloxy)naphthalene-1-carboxylic acid

2-(3-phenylprop-2-enoyloxy)naphthalene-1-carboxylic acid (PubChem CID 54563578) has the molecular formula C20H14O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-(3-phenylprop-2-enoyloxy)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-phenylprop-2-enoyloxy)naphthalene-1-carboxylic acid
PubChem CID54563578
Molecular FormulaC20H14O4
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name2-(3-phenylprop-2-enoyloxy)naphthalene-1-carboxylic acid
SMILESO=C(C=Cc1ccccc1)Oc1ccc2ccccc2c1C(=O)O
InChIInChI=1S/C20H14O4/c21-18(13-10-14-6-2-1-3-7-14)24-17-12-11-15-8-4-5-9-16(15)19(17)20(22)23/h1-13H,(H,22,23)
InChIKeyLVGQFRMMALVFGP-UHFFFAOYSA-N
XLogP4.16
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
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

[1-[[2-(3-phenylprop-2-enoyloxy)naphthalen-1-yl]methyl]naphthalen-2-yl] 3-phenylprop-2-enoate
CID 582973
naphthalen-1-yl 3-phenylprop-2-enoate
CID 788595
[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
1-[3-(4-phenylphenyl)prop-2-enoyloxy]naphthalene-2-carboxylic acid
CID 91186928
(Z)-3-phenyl-1-(2-phenylmethoxynaphthalen-1-yl)prop-2-en-1-one
CID 92908965
5-bromo-2-[(E)-3-phenylprop-2-enoyl]oxybenzoic acid
CID 54854493
2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid
CID 57145016
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
[2-(bromomethyl)phenyl] 3-phenylprop-2-enoate
CID 72974963
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
(2,3,4,5,6-pentafluorophenyl) 3-phenylprop-2-enoate
CID 72966102
(2,3,4,5,6-pentafluorophenyl) (E)-3-phenylprop-2-enoate
CID 11449832

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylprop-2-enoyloxy)naphthalene-1-carboxylic acid?
The IUPAC name of 2-(3-phenylprop-2-enoyloxy)naphthalene-1-carboxylic acid (CID 54563578) is 2-(3-phenylprop-2-enoyloxy)naphthalene-1-carboxylic acid.
What is the SMILES notation for 2-(3-phenylprop-2-enoyloxy)naphthalene-1-carboxylic acid?
The canonical SMILES for 2-(3-phenylprop-2-enoyloxy)naphthalene-1-carboxylic acid is O=C(C=Cc1ccccc1)Oc1ccc2ccccc2c1C(=O)O.
What is the InChIKey of 2-(3-phenylprop-2-enoyloxy)naphthalene-1-carboxylic acid?
The InChIKey is LVGQFRMMALVFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4/c21-18(13-10-14-6-2-1-3-7-14)24-17-12-11-15-8-4-5-9-16(15)19(17)20(22)23/h1-13H,(H,22,23).
What are the key properties of 2-(3-phenylprop-2-enoyloxy)naphthalene-1-carboxylic acid?
2-(3-phenylprop-2-enoyloxy)naphthalene-1-carboxylic acid has a molecular weight of 318.33 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylprop-2-enoyloxy)naphthalene-1-carboxylic acid is sourced from PubChem (CID 54563578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).