[2-[hydroxy(phenyl)methoxy]naphthalen-1-yl] benzoate

C24H18O4 — CID 89053787

IUPAC[2-[hydroxy(phenyl)methoxy]naphthalen-1-yl] benzoate
SMILESO=C(Oc1c(OC(O)c2ccccc2)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H18O4/c25-23(18-10-3-1-4-11-18)27-21-16-15-17-9-7-8-14-20(17)22(21)28-24(26)19-12-5-2-6-13-19/h1-16,23,25H
InChIKeyXMCLFOLVJNVUMK-UHFFFAOYSA-N
MW370.40 g/mol
LogP5.13
Rot. Bonds5

About [2-[hydroxy(phenyl)methoxy]naphthalen-1-yl] benzoate

[2-[hydroxy(phenyl)methoxy]naphthalen-1-yl] benzoate (PubChem CID 89053787) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is [2-[hydroxy(phenyl)methoxy]naphthalen-1-yl] benzoate.

Molecular Properties

Compound Name[2-[hydroxy(phenyl)methoxy]naphthalen-1-yl] benzoate
PubChem CID89053787
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Name[2-[hydroxy(phenyl)methoxy]naphthalen-1-yl] benzoate
SMILESO=C(Oc1c(OC(O)c2ccccc2)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H18O4/c25-23(18-10-3-1-4-11-18)27-21-16-15-17-9-7-8-14-20(17)22(21)28-24(26)19-12-5-2-6-13-19/h1-16,23,25H
InChIKeyXMCLFOLVJNVUMK-UHFFFAOYSA-N
XLogP5.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[1-[(S)-acetamido(phenyl)methyl]naphthalen-2-yl] benzoate
CID 2265476
[1-[acetamido(phenyl)methyl]naphthalen-2-yl] benzoate
CID 2882665
[hydroxy(phenyl)methyl] benzoate
CID 22715526
[1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 56688795
1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone
CID 143253129
(2-formylnaphthalen-1-yl) 4-(2-phenoxyethoxy)benzoate
CID 23012019
[2-(1-cyanoethoxy)naphthalen-1-yl] acetate
CID 67786651
ethyl 2-benzhydryloxynaphthalene-1-carboxylate
CID 134961368
(8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate
CID 175286070
[2-[[1-(4-chlorobenzoyl)oxynaphthalen-2-yl]methyl]naphthalen-1-yl] 4-chlorobenzoate
CID 138111308
[1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 3442368
[4-benzoyloxy-3-(3-hydroxy-1-phenylpropyl)phenyl] benzoate
CID 139729884

Frequently Asked Questions

What is the IUPAC name of [2-[hydroxy(phenyl)methoxy]naphthalen-1-yl] benzoate?
The IUPAC name of [2-[hydroxy(phenyl)methoxy]naphthalen-1-yl] benzoate (CID 89053787) is [2-[hydroxy(phenyl)methoxy]naphthalen-1-yl] benzoate.
What is the SMILES notation for [2-[hydroxy(phenyl)methoxy]naphthalen-1-yl] benzoate?
The canonical SMILES for [2-[hydroxy(phenyl)methoxy]naphthalen-1-yl] benzoate is O=C(Oc1c(OC(O)c2ccccc2)ccc2ccccc12)c1ccccc1.
What is the InChIKey of [2-[hydroxy(phenyl)methoxy]naphthalen-1-yl] benzoate?
The InChIKey is XMCLFOLVJNVUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O4/c25-23(18-10-3-1-4-11-18)27-21-16-15-17-9-7-8-14-20(17)22(21)28-24(26)19-12-5-2-6-13-19/h1-16,23,25H.
What are the key properties of [2-[hydroxy(phenyl)methoxy]naphthalen-1-yl] benzoate?
[2-[hydroxy(phenyl)methoxy]naphthalen-1-yl] benzoate has a molecular weight of 370.40 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[hydroxy(phenyl)methoxy]naphthalen-1-yl] benzoate is sourced from PubChem (CID 89053787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).