CID 58090275

C24H14O4 — CID 58090275

IUPAC—
SMILES[CH]C(=O)Oc1ccc2ccccc2c1-c1c(OC([CH])=O)ccc2ccccc12
InChIInChI=1S/C24H14O4/c1-15(25)27-21-13-11-17-7-3-5-9-19(17)23(21)24-20-10-6-4-8-18(20)12-14-22(24)28-16(2)26/h1-14H
InChIKeyBJOCKJBXUDYKNB-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.89
Rot. Bonds3

About CID 58090275

CID 58090275 (PubChem CID 58090275) has the molecular formula C24H14O4 and a molecular weight of 366.37 g/mol.

Molecular Properties

Compound NameCID 58090275
PubChem CID58090275
Molecular FormulaC24H14O4
Molecular Weight366.37 g/mol
Exact Mass366.09
IUPAC Name—
SMILES[CH]C(=O)Oc1ccc2ccccc2c1-c1c(OC([CH])=O)ccc2ccccc12
InChIInChI=1S/C24H14O4/c1-15(25)27-21-13-11-17-7-3-5-9-19(17)23(21)24-20-10-6-4-8-18(20)12-14-22(24)28-16(2)26/h1-14H
InChIKeyBJOCKJBXUDYKNB-UHFFFAOYSA-N
XLogP4.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.89
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

[1-(2-butanoyloxynaphthalen-1-yl)naphthalen-2-yl] butanoate
CID 11004443
[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
[1-(2-sulfooxynaphthalen-1-yl)naphthalen-2-yl] hydrogen sulfate
CID 67157811
[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl] carbonochloridate
CID 143840570
[1-[2-(dimethylcarbamothioyloxy)naphthalen-1-yl]naphthalen-2-yl] N,N-dimethylcarbamate
CID 15321081
2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride
CID 25112232
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] (2R)-3-methyl-2-phenylbutanoate
CID 14362627
[1-(2,3-diacetyloxy-4-bromonaphthalen-1-yl)naphthalen-2-yl] acetate
CID 10625421
[1-[2-(4-propoxybenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 4-propoxybenzoate
CID 158022369
(1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate
CID 67218834
[1-[2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] 1,1,2,2,2-pentafluoroethanesulfonate
CID 11215928
[4-[1-[2-[4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl] 6-hydroxynaphthalene-2-carboxylate
CID 118029962

Frequently Asked Questions

What is the IUPAC name of CID 58090275?
The IUPAC name of CID 58090275 (CID 58090275) is not available.
What is the SMILES notation for CID 58090275?
The canonical SMILES for CID 58090275 is [CH]C(=O)Oc1ccc2ccccc2c1-c1c(OC([CH])=O)ccc2ccccc12.
What is the InChIKey of CID 58090275?
The InChIKey is BJOCKJBXUDYKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14O4/c1-15(25)27-21-13-11-17-7-3-5-9-19(17)23(21)24-20-10-6-4-8-18(20)12-14-22(24)28-16(2)26/h1-14H.
What are the key properties of CID 58090275?
CID 58090275 has a molecular weight of 366.37 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58090275 is sourced from PubChem (CID 58090275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).