bis(naphthalen-1-ol);2-phenylethenyl prop-2-enoate

C31H26O4 — CID 174753482

IUPACbis(naphthalen-1-ol);2-phenylethenyl prop-2-enoate
SMILESC=CC(=O)OC=Cc1ccccc1.Oc1cccc2ccccc12.Oc1cccc2ccccc12
InChIInChI=1S/C11H10O2.2C10H8O/c1-2-11(12)13-9-8-10-6-4-3-5-7-10;2*11-10-7-3-5-8-4-1-2-6-9(8)10/h2-9H,1H2;2*1-7,11H
InChIKeyGNBXHAIGFUJMOK-UHFFFAOYSA-N
MW462.55 g/mol
LogP7.48
Rot. Bonds3

About bis(naphthalen-1-ol);2-phenylethenyl prop-2-enoate

bis(naphthalen-1-ol);2-phenylethenyl prop-2-enoate (PubChem CID 174753482) has the molecular formula C31H26O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is bis(naphthalen-1-ol);2-phenylethenyl prop-2-enoate.

Molecular Properties

Compound Namebis(naphthalen-1-ol);2-phenylethenyl prop-2-enoate
PubChem CID174753482
Molecular FormulaC31H26O4
Molecular Weight462.55 g/mol
Exact Mass462.18
IUPAC Namebis(naphthalen-1-ol);2-phenylethenyl prop-2-enoate
SMILESC=CC(=O)OC=Cc1ccccc1.Oc1cccc2ccccc12.Oc1cccc2ccccc12
InChIInChI=1S/C11H10O2.2C10H8O/c1-2-11(12)13-9-8-10-6-4-3-5-7-10;2*11-10-7-3-5-8-4-1-2-6-9(8)10/h2-9H,1H2;2*1-7,11H
InChIKeyGNBXHAIGFUJMOK-UHFFFAOYSA-N
XLogP7.48
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

calcium;hydride;2-phenylethenyl prop-2-enoate
CID 174470011
2-phenylethenyl prop-2-enoate;silyloxysilane
CID 173165185
2-phenylethenyl 3-phenylprop-2-enoate
CID 56982570
2-phenylethenyl 3-(2,3-dihydroxyphenyl)propanoate
CID 174542886
naphthalen-1-yl prop-2-enoate
CID 10192638
naphthalen-1-yl 3-phenylprop-2-enoate
CID 788595
tetrakis(naphthalen-1-ol);titanium
CID 18400436
naphthalene;naphthalen-1-ol
CID 174561564
naphthalen-1-ol;propanoic acid
CID 19792721
3-chloroprop-1-ene;naphthalen-1-ol
CID 174471084
3-oxo-3-(2-phenylethenoxy)propanoic acid
CID 89421619
2-phenylethenyl propanoate
CID 15502186

Frequently Asked Questions

What is the IUPAC name of bis(naphthalen-1-ol);2-phenylethenyl prop-2-enoate?
The IUPAC name of bis(naphthalen-1-ol);2-phenylethenyl prop-2-enoate (CID 174753482) is bis(naphthalen-1-ol);2-phenylethenyl prop-2-enoate.
What is the SMILES notation for bis(naphthalen-1-ol);2-phenylethenyl prop-2-enoate?
The canonical SMILES for bis(naphthalen-1-ol);2-phenylethenyl prop-2-enoate is C=CC(=O)OC=Cc1ccccc1.Oc1cccc2ccccc12.Oc1cccc2ccccc12.
What is the InChIKey of bis(naphthalen-1-ol);2-phenylethenyl prop-2-enoate?
The InChIKey is GNBXHAIGFUJMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2.2C10H8O/c1-2-11(12)13-9-8-10-6-4-3-5-7-10;2*11-10-7-3-5-8-4-1-2-6-9(8)10/h2-9H,1H2;2*1-7,11H.
What are the key properties of bis(naphthalen-1-ol);2-phenylethenyl prop-2-enoate?
bis(naphthalen-1-ol);2-phenylethenyl prop-2-enoate has a molecular weight of 462.55 g/mol, XLogP of 7.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(naphthalen-1-ol);2-phenylethenyl prop-2-enoate is sourced from PubChem (CID 174753482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).