3-oxatetracyclo[9.4.0.02,4.06,10]pentadeca-1(15),2(4),5,7,9,11,13-heptaene

C14H8O — CID 71361424

IUPAC3-oxatetracyclo[9.4.0.02,4.06,10]pentadeca-1(15),2(4),5,7,9,11,13-heptaene
SMILESc1cc2cc3c(c4ccccc4c-2c1)O3
InChIInChI=1S/C14H8O/c1-2-6-12-11(5-1)10-7-3-4-9(10)8-13-14(12)15-13/h1-8H
InChIKeyRHHADPNGZCSMBC-UHFFFAOYSA-N
MW192.22 g/mol
LogP4.05
Rot. Bonds

About 3-oxatetracyclo[9.4.0.02,4.06,10]pentadeca-1(15),2(4),5,7,9,11,13-heptaene

3-oxatetracyclo[9.4.0.02,4.06,10]pentadeca-1(15),2(4),5,7,9,11,13-heptaene (PubChem CID 71361424) has the molecular formula C14H8O and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-oxatetracyclo[9.4.0.02,4.06,10]pentadeca-1(15),2(4),5,7,9,11,13-heptaene.

Molecular Properties

Compound Name3-oxatetracyclo[9.4.0.02,4.06,10]pentadeca-1(15),2(4),5,7,9,11,13-heptaene
PubChem CID71361424
Molecular FormulaC14H8O
Molecular Weight192.22 g/mol
Exact Mass192.06
IUPAC Name3-oxatetracyclo[9.4.0.02,4.06,10]pentadeca-1(15),2(4),5,7,9,11,13-heptaene
SMILESc1cc2cc3c(c4ccccc4c-2c1)O3
InChIInChI=1S/C14H8O/c1-2-6-12-11(5-1)10-7-3-4-9(10)8-13-14(12)15-13/h1-8H
InChIKeyRHHADPNGZCSMBC-UHFFFAOYSA-N
XLogP4.05
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

12-[3-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-12-yl)phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 118145223
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
4-[3-(3-aminodibenzo-p-dioxin-1-yl)phenyl]dibenzo-p-dioxin-2-amine
CID 70145384
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
12-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 129229617
4-[4-(4-phenylphenyl)phenyl]-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene
CID 90267061
5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033168
4-[8-(9,9-dimethylxanthen-4-yl)-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155334577
9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene
CID 153466528
CID 143913959
CID 143913959
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
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Frequently Asked Questions

What is the IUPAC name of 3-oxatetracyclo[9.4.0.02,4.06,10]pentadeca-1(15),2(4),5,7,9,11,13-heptaene?
The IUPAC name of 3-oxatetracyclo[9.4.0.02,4.06,10]pentadeca-1(15),2(4),5,7,9,11,13-heptaene (CID 71361424) is 3-oxatetracyclo[9.4.0.02,4.06,10]pentadeca-1(15),2(4),5,7,9,11,13-heptaene.
What is the SMILES notation for 3-oxatetracyclo[9.4.0.02,4.06,10]pentadeca-1(15),2(4),5,7,9,11,13-heptaene?
The canonical SMILES for 3-oxatetracyclo[9.4.0.02,4.06,10]pentadeca-1(15),2(4),5,7,9,11,13-heptaene is c1cc2cc3c(c4ccccc4c-2c1)O3.
What is the InChIKey of 3-oxatetracyclo[9.4.0.02,4.06,10]pentadeca-1(15),2(4),5,7,9,11,13-heptaene?
The InChIKey is RHHADPNGZCSMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O/c1-2-6-12-11(5-1)10-7-3-4-9(10)8-13-14(12)15-13/h1-8H.
What are the key properties of 3-oxatetracyclo[9.4.0.02,4.06,10]pentadeca-1(15),2(4),5,7,9,11,13-heptaene?
3-oxatetracyclo[9.4.0.02,4.06,10]pentadeca-1(15),2(4),5,7,9,11,13-heptaene has a molecular weight of 192.22 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxatetracyclo[9.4.0.02,4.06,10]pentadeca-1(15),2(4),5,7,9,11,13-heptaene is sourced from PubChem (CID 71361424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).