13-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diol

C16H15BrO2 — CID 101351995

IUPAC13-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diol
SMILESOc1cc2c(Br)cc1CCc1ccc(c(O)c1)CC2
InChIInChI=1S/C16H15BrO2/c17-14-8-13-4-2-10-1-3-11(15(18)7-10)5-6-12(14)9-16(13)19/h1,3,7-9,18-19H,2,4-6H2
InChIKeySUQTXNLHSRLEMS-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.74
Rot. Bonds

About 13-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diol

13-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diol (PubChem CID 101351995) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 13-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diol.

Molecular Properties

Compound Name13-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diol
PubChem CID101351995
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name13-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diol
SMILESOc1cc2c(Br)cc1CCc1ccc(c(O)c1)CC2
InChIInChI=1S/C16H15BrO2/c17-14-8-13-4-2-10-1-3-11(15(18)7-10)5-6-12(14)9-16(13)19/h1,3,7-9,18-19H,2,4-6H2
InChIKeySUQTXNLHSRLEMS-UHFFFAOYSA-N
XLogP3.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 13-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diol with MolForge

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Related Compounds

12-bromo-6-tert-butyl-16-methyltricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaene
CID 10428404
12-(2-hydroxyethyliminomethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-ol
CID 24807421
6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one
CID 131399948
5,11-bis(2,2-dibromoethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 139076148
21,22-dibromopentacyclo[15.3.1.14,8.17,11.114,18]tetracosa-1(21),4(24),5,7,9,11(23),14(22),15,17,19-decaene
CID 593085
12-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-ol
CID 101422285
12-bromo-6-tert-butyl-16-methoxytricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaene
CID 10339292
tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,12-dicarboxylic acid
CID 4072199
5-(bromomethyl)tetracyclo[14.2.2.24,7.210,13]tetracosa-1(19),4,6,10(22),11,13(21),16(20),17,23-nonaene
CID 15184281
(2-bromophenyl)-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine
CID 20837591
5-(2-iodoethynyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
CID 134864318
54,55,56,60,61,62-hexathiatridecacyclo[40.8.2.216,25.12,48.13,6.17,10.111,14.115,19.128,31.132,35.136,39.022,27.040,45]dohexaconta-1,3,5,7,9,11,13,15,17,19(59),22(27),23,25,28,30,32,34,36,38,40(45),41,43,48(53),49-tetracosaene
CID 132511127

Frequently Asked Questions

What is the IUPAC name of 13-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diol?
The IUPAC name of 13-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diol (CID 101351995) is 13-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diol.
What is the SMILES notation for 13-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diol?
The canonical SMILES for 13-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diol is Oc1cc2c(Br)cc1CCc1ccc(c(O)c1)CC2.
What is the InChIKey of 13-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diol?
The InChIKey is SUQTXNLHSRLEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c17-14-8-13-4-2-10-1-3-11(15(18)7-10)5-6-12(14)9-16(13)19/h1,3,7-9,18-19H,2,4-6H2.
What are the key properties of 13-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diol?
13-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diol has a molecular weight of 319.20 g/mol, XLogP of 3.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diol is sourced from PubChem (CID 101351995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).