(8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate

C28H18O4 — CID 175286070

IUPAC(8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate
SMILESO=C(Oc1cccc2cccc(OC(=O)c3cccc4ccccc34)c12)c1ccccc1
InChIInChI=1S/C28H18O4/c29-27(21-10-2-1-3-11-21)31-24-17-7-13-20-14-8-18-25(26(20)24)32-28(30)23-16-6-12-19-9-4-5-15-22(19)23/h1-18H
InChIKeyFEESJWUAUOTWTO-UHFFFAOYSA-N
MW418.45 g/mol
LogP6.43
Rot. Bonds4

About (8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate

(8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate (PubChem CID 175286070) has the molecular formula C28H18O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is (8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate.

Molecular Properties

Compound Name(8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate
PubChem CID175286070
Molecular FormulaC28H18O4
Molecular Weight418.45 g/mol
Exact Mass418.12
IUPAC Name(8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate
SMILESO=C(Oc1cccc2cccc(OC(=O)c3cccc4ccccc34)c12)c1ccccc1
InChIInChI=1S/C28H18O4/c29-27(21-10-2-1-3-11-21)31-24-17-7-13-20-14-8-18-25(26(20)24)32-28(30)23-16-6-12-19-9-4-5-15-22(19)23/h1-18H
InChIKeyFEESJWUAUOTWTO-UHFFFAOYSA-N
XLogP6.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.45
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(naphthalene-1-carbonyloxy)benzoic acid
CID 54147008
(2-phenylphenyl) naphthalene-1-carboxylate
CID 91722072
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
(3-benzoyloxy-4-formylnaphthalen-2-yl) naphthalene-1-carboxylate
CID 19978902
[(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate
CID 134263043
[8-(4-methylbenzoyl)oxynaphthalen-1-yl] 4-methylbenzoate
CID 137412907
naphthalen-1-yl 2-hydroxybenzoate
CID 504536
(5-hydroxynaphthalen-1-yl) benzoate
CID 646429
magnesium;hydride;naphthalene-1-carboperoxoic acid
CID 175368397
naphthalen-1-yl 2-propan-2-yloxybenzoate
CID 23013102
naphthalen-1-yl dibenzofuran-1-carboxylate
CID 134956412
(2-benzoyloxy-3-butanoylphenyl) benzoate
CID 141250057

Frequently Asked Questions

What is the IUPAC name of (8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate?
The IUPAC name of (8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate (CID 175286070) is (8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate.
What is the SMILES notation for (8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate?
The canonical SMILES for (8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate is O=C(Oc1cccc2cccc(OC(=O)c3cccc4ccccc34)c12)c1ccccc1.
What is the InChIKey of (8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate?
The InChIKey is FEESJWUAUOTWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18O4/c29-27(21-10-2-1-3-11-21)31-24-17-7-13-20-14-8-18-25(26(20)24)32-28(30)23-16-6-12-19-9-4-5-15-22(19)23/h1-18H.
What are the key properties of (8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate?
(8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate has a molecular weight of 418.45 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate is sourced from PubChem (CID 175286070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).