11-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8-pentaene

C15H14O — CID 4867516

IUPAC11-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8-pentaene
SMILESc1ccc2c3c(ccc2c1)OC1CCCC31
InChIInChI=1S/C15H14O/c1-2-5-11-10(4-1)8-9-14-15(11)12-6-3-7-13(12)16-14/h1-2,4-5,8-9,12-13H,3,6-7H2
InChIKeyOMPJKSIMSQUWGB-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.87
Rot. Bonds

About 11-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8-pentaene

11-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8-pentaene (PubChem CID 4867516) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 11-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8-pentaene.

Molecular Properties

Compound Name11-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8-pentaene
PubChem CID4867516
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name11-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8-pentaene
SMILESc1ccc2c3c(ccc2c1)OC1CCCC31
InChIInChI=1S/C15H14O/c1-2-5-11-10(4-1)8-9-14-15(11)12-6-3-7-13(12)16-14/h1-2,4-5,8-9,12-13H,3,6-7H2
InChIKeyOMPJKSIMSQUWGB-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 11-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,9S)-10-oxatetracyclo[9.8.0.02,9.014,19]nonadeca-1(11),12,14,16,18-pentaene
CID 11482165
(12R,16R,18S)-16-ethenyl-18-phenyl-11-oxa-17-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8-pentaene
CID 46196603
(11S,15S)-2,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7-tetraen-9-one
CID 101041214
12-(3,4,5-trimethoxyphenyl)-7a,8,9,10,11a,12-hexahydrobenzo[a]xanthen-11-one
CID 139234365
(12R,16R,18S)-16-but-3-enyl-18-phenyl-11-oxa-17-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8-pentaene
CID 46198137
(13R,17S)-11-oxa-15-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene
CID 67721503
1-phenyl-2,3-dihydro-1H-benzo[f]chromen-3-ol
CID 14316337
(12R,15R,17S)-17-phenyl-15-prop-1-ynyl-11-oxa-16-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8-pentaene
CID 53244138
cis-(1S,2S)-2-(2-methylnaphthalen-1-yl)cyclohexan-1-ol
CID 139705882
cis-(1R,2R)-2-(2-methylnaphthalen-1-yl)cyclohexan-1-ol
CID 139706022
9-oxapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),13,15,17,19-pentaene-8,10-dione
CID 4147646
(4aS,9aR)-1,2,3,4,4a,9a-hexahydroxanthen-9-one
CID 10726796

Frequently Asked Questions

What is the IUPAC name of 11-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8-pentaene?
The IUPAC name of 11-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8-pentaene (CID 4867516) is 11-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8-pentaene.
What is the SMILES notation for 11-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8-pentaene?
The canonical SMILES for 11-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8-pentaene is c1ccc2c3c(ccc2c1)OC1CCCC31.
What is the InChIKey of 11-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8-pentaene?
The InChIKey is OMPJKSIMSQUWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-2-5-11-10(4-1)8-9-14-15(11)12-6-3-7-13(12)16-14/h1-2,4-5,8-9,12-13H,3,6-7H2.
What are the key properties of 11-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8-pentaene?
11-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8-pentaene has a molecular weight of 210.28 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8-pentaene is sourced from PubChem (CID 4867516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).