(2Z)-10,11-dibromo-5,16-dimethoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene

C18H16Br2O2 — CID 134866217

IUPAC(2Z)-10,11-dibromo-5,16-dimethoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene
SMILESCOc1cccc2c1/C=C\c1c(OC)cccc1C(Br)C2Br
InChIInChI=1S/C18H16Br2O2/c1-21-15-7-3-5-13-11(15)9-10-12-14(18(20)17(13)19)6-4-8-16(12)22-2/h3-10,17-18H,1-2H3/b10-9-
InChIKeyIKNRUDVLBQDQCV-KTKRTIGZSA-N
MW424.13 g/mol
LogP5.76
Rot. Bonds2

About (2Z)-10,11-dibromo-5,16-dimethoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene

(2Z)-10,11-dibromo-5,16-dimethoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene (PubChem CID 134866217) has the molecular formula C18H16Br2O2 and a molecular weight of 424.13 g/mol. Its IUPAC name is (2Z)-10,11-dibromo-5,16-dimethoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene.

Molecular Properties

Compound Name(2Z)-10,11-dibromo-5,16-dimethoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene
PubChem CID134866217
Molecular FormulaC18H16Br2O2
Molecular Weight424.13 g/mol
Exact Mass421.95
IUPAC Name(2Z)-10,11-dibromo-5,16-dimethoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene
SMILESCOc1cccc2c1/C=C\c1c(OC)cccc1C(Br)C2Br
InChIInChI=1S/C18H16Br2O2/c1-21-15-7-3-5-13-11(15)9-10-12-14(18(20)17(13)19)6-4-8-16(12)22-2/h3-10,17-18H,1-2H3/b10-9-
InChIKeyIKNRUDVLBQDQCV-KTKRTIGZSA-N
XLogP5.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.13
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (2Z)-10,11-dibromo-5,16-dimethoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene with MolForge

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Related Compounds

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2-bromo-1-cyclopropyl-3-methoxybenzene
CID 130114065
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(9Z)-7,12-dimethoxy-21-oxapentacyclo[16.2.1.02,17.03,8.011,16]henicosa-2(17),3(8),4,6,9,11(16),12,14,19-nonaene
CID 6312301
1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol
CID 12651971
2-[dibromo(methyl)-λ4-tellanyl]-1,3-dimethoxybenzene
CID 139154969
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
(3R,5S,6S,8S)-11-methoxyhexacyclo[8.4.0.02,5.03,8.04,7.06,9]tetradeca-1(10),11,13-triene
CID 98556362
2-methoxyphenol;molecular bromine
CID 141484212
(1S,2S,4R)-8-methoxy-1,2,3,4-tetrahydronaphthalene-1,2,4-triol
CID 139587454
4-methoxy-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 79726670

Frequently Asked Questions

What is the IUPAC name of (2Z)-10,11-dibromo-5,16-dimethoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene?
The IUPAC name of (2Z)-10,11-dibromo-5,16-dimethoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene (CID 134866217) is (2Z)-10,11-dibromo-5,16-dimethoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene.
What is the SMILES notation for (2Z)-10,11-dibromo-5,16-dimethoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene?
The canonical SMILES for (2Z)-10,11-dibromo-5,16-dimethoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene is COc1cccc2c1/C=C\c1c(OC)cccc1C(Br)C2Br.
What is the InChIKey of (2Z)-10,11-dibromo-5,16-dimethoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene?
The InChIKey is IKNRUDVLBQDQCV-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H16Br2O2/c1-21-15-7-3-5-13-11(15)9-10-12-14(18(20)17(13)19)6-4-8-16(12)22-2/h3-10,17-18H,1-2H3/b10-9-.
What are the key properties of (2Z)-10,11-dibromo-5,16-dimethoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene?
(2Z)-10,11-dibromo-5,16-dimethoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene has a molecular weight of 424.13 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-10,11-dibromo-5,16-dimethoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene is sourced from PubChem (CID 134866217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).