[(1R)-1-[1-[2-[(1R)-1-benzoyloxyprop-2-enyl]naphthalen-1-yl]naphthalen-2-yl]prop-2-enyl] benzoate

C40H30O4 — CID 97289372

IUPAC[(1R)-1-[1-[2-[(1R)-1-benzoyloxyprop-2-enyl]naphthalen-1-yl]naphthalen-2-yl]prop-2-enyl] benzoate
SMILESC=C[C@@H](OC(=O)c1ccccc1)c1ccc2ccccc2c1-c1c([C@@H](C=C)OC(=O)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C40H30O4/c1-3-35(43-39(41)29-17-7-5-8-18-29)33-25-23-27-15-11-13-21-31(27)37(33)38-32-22-14-12-16-28(32)24-26-34(38)36(4-2)44-40(42)30-19-9-6-10-20-30/h3-26,35-36H,1-2H2/t35-,36-/m1/s1
InChIKeyBIOOCQWSXFJWHN-LQFQNGICSA-N
MW574.68 g/mol
LogP9.83
Rot. Bonds9

About [(1R)-1-[1-[2-[(1R)-1-benzoyloxyprop-2-enyl]naphthalen-1-yl]naphthalen-2-yl]prop-2-enyl] benzoate

[(1R)-1-[1-[2-[(1R)-1-benzoyloxyprop-2-enyl]naphthalen-1-yl]naphthalen-2-yl]prop-2-enyl] benzoate (PubChem CID 97289372) has the molecular formula C40H30O4 and a molecular weight of 574.68 g/mol. Its IUPAC name is [(1R)-1-[1-[2-[(1R)-1-benzoyloxyprop-2-enyl]naphthalen-1-yl]naphthalen-2-yl]prop-2-enyl] benzoate.

Molecular Properties

Compound Name[(1R)-1-[1-[2-[(1R)-1-benzoyloxyprop-2-enyl]naphthalen-1-yl]naphthalen-2-yl]prop-2-enyl] benzoate
PubChem CID97289372
Molecular FormulaC40H30O4
Molecular Weight574.68 g/mol
Exact Mass574.21
IUPAC Name[(1R)-1-[1-[2-[(1R)-1-benzoyloxyprop-2-enyl]naphthalen-1-yl]naphthalen-2-yl]prop-2-enyl] benzoate
SMILESC=C[C@@H](OC(=O)c1ccccc1)c1ccc2ccccc2c1-c1c([C@@H](C=C)OC(=O)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C40H30O4/c1-3-35(43-39(41)29-17-7-5-8-18-29)33-25-23-27-15-11-13-21-31(27)37(33)38-32-22-14-12-16-28(32)24-26-34(38)36(4-2)44-40(42)30-19-9-6-10-20-30/h3-26,35-36H,1-2H2/t35-,36-/m1/s1
InChIKeyBIOOCQWSXFJWHN-LQFQNGICSA-N
XLogP9.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-naphthalen-1-ylprop-2-enyl] acetate
CID 101384633
5-hydroxypent-1-en-3-yl benzoate
CID 14375637
1-cyanoprop-2-enyl benzoate
CID 13229624
[(1S)-1-isoquinolin-1-yl-2-methylpropyl] benzoate
CID 6934612
phenanthrene;prop-2-enoic acid
CID 88600118
(6-oxo-6-phenylhex-1-en-3-yl) benzoate
CID 132598620
[(2R)-2,4-dibenzoyloxyhex-5-enyl] benzoate
CID 139697958
(3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate
CID 23126014
formic acid;prop-2-enyl benzoate
CID 174813743
[3-benzoyloxy-1,4-dioxo-1,4-bis(prop-2-enylamino)butan-2-yl] benzoate
CID 18330840
[(2S,3S)-3-hydroxyhex-5-en-2-yl] benzoate
CID 134930488
3-hydroxy-4-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalene-2-carbaldehyde
CID 132942599

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[1-[2-[(1R)-1-benzoyloxyprop-2-enyl]naphthalen-1-yl]naphthalen-2-yl]prop-2-enyl] benzoate?
The IUPAC name of [(1R)-1-[1-[2-[(1R)-1-benzoyloxyprop-2-enyl]naphthalen-1-yl]naphthalen-2-yl]prop-2-enyl] benzoate (CID 97289372) is [(1R)-1-[1-[2-[(1R)-1-benzoyloxyprop-2-enyl]naphthalen-1-yl]naphthalen-2-yl]prop-2-enyl] benzoate.
What is the SMILES notation for [(1R)-1-[1-[2-[(1R)-1-benzoyloxyprop-2-enyl]naphthalen-1-yl]naphthalen-2-yl]prop-2-enyl] benzoate?
The canonical SMILES for [(1R)-1-[1-[2-[(1R)-1-benzoyloxyprop-2-enyl]naphthalen-1-yl]naphthalen-2-yl]prop-2-enyl] benzoate is C=C[C@@H](OC(=O)c1ccccc1)c1ccc2ccccc2c1-c1c([C@@H](C=C)OC(=O)c2ccccc2)ccc2ccccc12.
What is the InChIKey of [(1R)-1-[1-[2-[(1R)-1-benzoyloxyprop-2-enyl]naphthalen-1-yl]naphthalen-2-yl]prop-2-enyl] benzoate?
The InChIKey is BIOOCQWSXFJWHN-LQFQNGICSA-N. The full InChI is InChI=1S/C40H30O4/c1-3-35(43-39(41)29-17-7-5-8-18-29)33-25-23-27-15-11-13-21-31(27)37(33)38-32-22-14-12-16-28(32)24-26-34(38)36(4-2)44-40(42)30-19-9-6-10-20-30/h3-26,35-36H,1-2H2/t35-,36-/m1/s1.
What are the key properties of [(1R)-1-[1-[2-[(1R)-1-benzoyloxyprop-2-enyl]naphthalen-1-yl]naphthalen-2-yl]prop-2-enyl] benzoate?
[(1R)-1-[1-[2-[(1R)-1-benzoyloxyprop-2-enyl]naphthalen-1-yl]naphthalen-2-yl]prop-2-enyl] benzoate has a molecular weight of 574.68 g/mol, XLogP of 9.83, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[1-[2-[(1R)-1-benzoyloxyprop-2-enyl]naphthalen-1-yl]naphthalen-2-yl]prop-2-enyl] benzoate is sourced from PubChem (CID 97289372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).