naphtho[2,3-c]isochromen-5-one

C17H10O2 — CID 11379597

IUPACnaphtho[2,3-c]isochromen-5-one
SMILESO=c1oc2cc3ccccc3cc2c2ccccc12
InChIInChI=1S/C17H10O2/c18-17-14-8-4-3-7-13(14)15-9-11-5-1-2-6-12(11)10-16(15)19-17/h1-10H
InChIKeySSYZAJVXLKVTLL-UHFFFAOYSA-N
MW246.27 g/mol
LogP4.10
Rot. Bonds

About naphtho[2,3-c]isochromen-5-one

naphtho[2,3-c]isochromen-5-one (PubChem CID 11379597) has the molecular formula C17H10O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is naphtho[2,3-c]isochromen-5-one.

Molecular Properties

Compound Namenaphtho[2,3-c]isochromen-5-one
PubChem CID11379597
Molecular FormulaC17H10O2
Molecular Weight246.27 g/mol
Exact Mass246.07
IUPAC Namenaphtho[2,3-c]isochromen-5-one
SMILESO=c1oc2cc3ccccc3cc2c2ccccc12
InChIInChI=1S/C17H10O2/c18-17-14-8-4-3-7-13(14)15-9-11-5-1-2-6-12(11)10-16(15)19-17/h1-10H
InChIKeySSYZAJVXLKVTLL-UHFFFAOYSA-N
XLogP4.10
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione
CID 71358715
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
2-phenoxybenzo[c]chromen-6-one
CID 164686095
benzo[d][2]benzoxepine-5,7-dione;ethane
CID 90954476
6-oxobenzo[c]chromene-3-carboxylic acid
CID 20530939
benzo[g][2,3]benzodioxine-1,4-dione
CID 164673026
9-methyl-10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one
CID 707799
10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one
CID 707803
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-10-amine
CID 147231858
3-phenylbenzo[g]isochromen-1-one
CID 10849789
7-bromo-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 155318564

Frequently Asked Questions

What is the IUPAC name of naphtho[2,3-c]isochromen-5-one?
The IUPAC name of naphtho[2,3-c]isochromen-5-one (CID 11379597) is naphtho[2,3-c]isochromen-5-one.
What is the SMILES notation for naphtho[2,3-c]isochromen-5-one?
The canonical SMILES for naphtho[2,3-c]isochromen-5-one is O=c1oc2cc3ccccc3cc2c2ccccc12.
What is the InChIKey of naphtho[2,3-c]isochromen-5-one?
The InChIKey is SSYZAJVXLKVTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O2/c18-17-14-8-4-3-7-13(14)15-9-11-5-1-2-6-12(11)10-16(15)19-17/h1-10H.
What are the key properties of naphtho[2,3-c]isochromen-5-one?
naphtho[2,3-c]isochromen-5-one has a molecular weight of 246.27 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[2,3-c]isochromen-5-one is sourced from PubChem (CID 11379597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).