7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-benzo[h]chromene]

C24H16O3 — CID 631792

IUPAC7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-benzo[h]chromene]
SMILESCOc1ccc2c3c(cccc13)OC21C=Cc2ccc3ccccc3c2O1
InChIInChI=1S/C24H16O3/c1-25-20-12-11-19-22-18(20)7-4-8-21(22)26-24(19)14-13-16-10-9-15-5-2-3-6-17(15)23(16)27-24/h2-14H,1H3
InChIKeyRYTNMOYKOFUJJL-UHFFFAOYSA-N
MW352.39 g/mol
LogP5.65
Rot. Bonds1

About 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-benzo[h]chromene]

7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-benzo[h]chromene] (PubChem CID 631792) has the molecular formula C24H16O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-benzo[h]chromene].

Molecular Properties

Compound Name7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-benzo[h]chromene]
PubChem CID631792
Molecular FormulaC24H16O3
Molecular Weight352.39 g/mol
Exact Mass352.11
IUPAC Name7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-benzo[h]chromene]
SMILESCOc1ccc2c3c(cccc13)OC21C=Cc2ccc3ccccc3c2O1
InChIInChI=1S/C24H16O3/c1-25-20-12-11-19-22-18(20)7-4-8-21(22)26-24(19)14-13-16-10-9-15-5-2-3-6-17(15)23(16)27-24/h2-14H,1H3
InChIKeyRYTNMOYKOFUJJL-UHFFFAOYSA-N
XLogP5.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.39
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-benzo[h]chromene] with MolForge

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Related Compounds

2,2-dimethoxybenzo[h]chromene
CID 141176561
2-(4-methoxyphenyl)-2-methylbenzo[h]chromene
CID 15650046
methane;8-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,4'-naphthalene]-1'-one;(4'-oxospiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,1'-naphthalene]-8-yl) 2-aminoacetate
CID 159698289
8'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-naphthalene]-1'-one
CID 10925545
CID 10792750
CID 10792750
6'-methoxy-3'-pentylspiro[benzo[f]chromene-3,2'-chromene]
CID 19083852
3'-phenylspiro[benzo[f]chromene-3,2'-chromene]
CID 19084037
2-naphthalen-1-yl-2-naphthalen-2-ylbenzo[h]chromene
CID 169032361
N,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline
CID 70344376
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
4-methoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 102346383
3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 18916131

Frequently Asked Questions

What is the IUPAC name of 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-benzo[h]chromene]?
The IUPAC name of 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-benzo[h]chromene] (CID 631792) is 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-benzo[h]chromene].
What is the SMILES notation for 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-benzo[h]chromene]?
The canonical SMILES for 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-benzo[h]chromene] is COc1ccc2c3c(cccc13)OC21C=Cc2ccc3ccccc3c2O1.
What is the InChIKey of 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-benzo[h]chromene]?
The InChIKey is RYTNMOYKOFUJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O3/c1-25-20-12-11-19-22-18(20)7-4-8-21(22)26-24(19)14-13-16-10-9-15-5-2-3-6-17(15)23(16)27-24/h2-14H,1H3.
What are the key properties of 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-benzo[h]chromene]?
7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-benzo[h]chromene] has a molecular weight of 352.39 g/mol, XLogP of 5.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-benzo[h]chromene] is sourced from PubChem (CID 631792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).