1-(4-fluorophenyl)-2,9-dioxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaene

C20H13FO2 — CID 627620

IUPAC1-(4-fluorophenyl)-2,9-dioxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaene
SMILESFc1ccc(C23Oc4ccccc4OC2c2ccccc23)cc1
InChIInChI=1S/C20H13FO2/c21-14-11-9-13(10-12-14)20-16-6-2-1-5-15(16)19(20)22-17-7-3-4-8-18(17)23-20/h1-12,19H
InChIKeyANNWVRLCVSTNMO-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.60
Rot. Bonds1

About 1-(4-fluorophenyl)-2,9-dioxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaene

1-(4-fluorophenyl)-2,9-dioxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaene (PubChem CID 627620) has the molecular formula C20H13FO2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,9-dioxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaene.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,9-dioxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaene
PubChem CID627620
Molecular FormulaC20H13FO2
Molecular Weight304.32 g/mol
Exact Mass304.09
IUPAC Name1-(4-fluorophenyl)-2,9-dioxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaene
SMILESFc1ccc(C23Oc4ccccc4OC2c2ccccc23)cc1
InChIInChI=1S/C20H13FO2/c21-14-11-9-13(10-12-14)20-16-6-2-1-5-15(16)19(20)22-17-7-3-4-8-18(17)23-20/h1-12,19H
InChIKeyANNWVRLCVSTNMO-UHFFFAOYSA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-2,9-dioxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaene with MolForge

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Related Compounds

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CID 143052
(2R,3R)-5-fluoro-2,3-bis(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine
CID 10069206
5-Fluoro-2,3-bis(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine
CID 13537379
(+/-)-(trans)-5-Fluoro-2,3-dihydro-2,3-bis[(phenylmethoxy)methyl]-1,4-benzodioxin
CID 13537380
6-[2-(2-fluorophenyl)-1H-naphthalen-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 57222149
6-(5-Fluoro-2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzodioxine
CID 57867730
6-[5-Fluoro-2-(2-methylpropyl)phenyl]-2,3-dihydro-1,4-benzodioxine
CID 58439286
6-(5-Fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine
CID 68033386
6-(2-Ethyl-5-fluorophenyl)-2,3-dihydro-1,4-benzodioxine
CID 68387636
(3R)-6-fluoro-5-(2-methylphenyl)-3-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 69258163
3-(ethoxymethyl)-6-[(E)-3-(3-fluorophenyl)-1-phenylprop-1-enyl]-2,3-dihydro-1,4-benzodioxine
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,9-dioxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaene?
The IUPAC name of 1-(4-fluorophenyl)-2,9-dioxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaene (CID 627620) is 1-(4-fluorophenyl)-2,9-dioxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaene.
What is the SMILES notation for 1-(4-fluorophenyl)-2,9-dioxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaene?
The canonical SMILES for 1-(4-fluorophenyl)-2,9-dioxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaene is Fc1ccc(C23Oc4ccccc4OC2c2ccccc23)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2,9-dioxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaene?
The InChIKey is ANNWVRLCVSTNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FO2/c21-14-11-9-13(10-12-14)20-16-6-2-1-5-15(16)19(20)22-17-7-3-4-8-18(17)23-20/h1-12,19H.
What are the key properties of 1-(4-fluorophenyl)-2,9-dioxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaene?
1-(4-fluorophenyl)-2,9-dioxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaene has a molecular weight of 304.32 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,9-dioxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaene is sourced from PubChem (CID 627620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).