1-[3-(4-phenylphenyl)prop-2-enoyloxy]naphthalene-2-carboxylic acid

C26H18O4 — CID 91186928

IUPAC1-[3-(4-phenylphenyl)prop-2-enoyloxy]naphthalene-2-carboxylic acid
SMILESO=C(C=Cc1ccc(-c2ccccc2)cc1)Oc1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C26H18O4/c27-24(17-12-18-10-13-20(14-11-18)19-6-2-1-3-7-19)30-25-22-9-5-4-8-21(22)15-16-23(25)26(28)29/h1-17H,(H,28,29)
InChIKeyWNMUZANZXSHKNF-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.82
Rot. Bonds5

About 1-[3-(4-phenylphenyl)prop-2-enoyloxy]naphthalene-2-carboxylic acid

1-[3-(4-phenylphenyl)prop-2-enoyloxy]naphthalene-2-carboxylic acid (PubChem CID 91186928) has the molecular formula C26H18O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-[3-(4-phenylphenyl)prop-2-enoyloxy]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-phenylphenyl)prop-2-enoyloxy]naphthalene-2-carboxylic acid
PubChem CID91186928
Molecular FormulaC26H18O4
Molecular Weight394.43 g/mol
Exact Mass394.12
IUPAC Name1-[3-(4-phenylphenyl)prop-2-enoyloxy]naphthalene-2-carboxylic acid
SMILESO=C(C=Cc1ccc(-c2ccccc2)cc1)Oc1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C26H18O4/c27-24(17-12-18-10-13-20(14-11-18)19-6-2-1-3-7-19)30-25-22-9-5-4-8-21(22)15-16-23(25)26(28)29/h1-17H,(H,28,29)
InChIKeyWNMUZANZXSHKNF-UHFFFAOYSA-N
XLogP5.82
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.82
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

2-(3-phenylprop-2-enoyloxy)naphthalene-1-carboxylic acid
CID 54563578
(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 6275541
naphthalen-1-yl 3-phenylprop-2-enoate
CID 788595
[1-[[2-(3-phenylprop-2-enoyloxy)naphthalen-1-yl]methyl]naphthalen-2-yl] 3-phenylprop-2-enoate
CID 582973
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
ethyl 3-[4-(2-phenylnaphthalen-1-yl)oxyphenyl]prop-2-enoate
CID 70016911
[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
4-(3-phenylprop-2-enoyl)naphthalene-1-carboxylic acid
CID 70207100
(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
naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 886279
(4-hydroxynaphthalen-2-yl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 15890234

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-phenylphenyl)prop-2-enoyloxy]naphthalene-2-carboxylic acid?
The IUPAC name of 1-[3-(4-phenylphenyl)prop-2-enoyloxy]naphthalene-2-carboxylic acid (CID 91186928) is 1-[3-(4-phenylphenyl)prop-2-enoyloxy]naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-[3-(4-phenylphenyl)prop-2-enoyloxy]naphthalene-2-carboxylic acid?
The canonical SMILES for 1-[3-(4-phenylphenyl)prop-2-enoyloxy]naphthalene-2-carboxylic acid is O=C(C=Cc1ccc(-c2ccccc2)cc1)Oc1c(C(=O)O)ccc2ccccc12.
What is the InChIKey of 1-[3-(4-phenylphenyl)prop-2-enoyloxy]naphthalene-2-carboxylic acid?
The InChIKey is WNMUZANZXSHKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O4/c27-24(17-12-18-10-13-20(14-11-18)19-6-2-1-3-7-19)30-25-22-9-5-4-8-21(22)15-16-23(25)26(28)29/h1-17H,(H,28,29).
What are the key properties of 1-[3-(4-phenylphenyl)prop-2-enoyloxy]naphthalene-2-carboxylic acid?
1-[3-(4-phenylphenyl)prop-2-enoyloxy]naphthalene-2-carboxylic acid has a molecular weight of 394.43 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-phenylphenyl)prop-2-enoyloxy]naphthalene-2-carboxylic acid is sourced from PubChem (CID 91186928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).