9-bromobenzo[a]oxanthrene

C16H9BrO2 — CID 142294271

IUPAC9-bromobenzo[a]oxanthrene
SMILESBrc1ccc2c(c1)Oc1ccc3ccccc3c1O2
InChIInChI=1S/C16H9BrO2/c17-11-6-8-13-15(9-11)18-14-7-5-10-3-1-2-4-12(10)16(14)19-13/h1-9H
InChIKeyHHRLTQFWIZXYDH-UHFFFAOYSA-N
MW313.15 g/mol
LogP5.50
Rot. Bonds

About 9-bromobenzo[a]oxanthrene

9-bromobenzo[a]oxanthrene (PubChem CID 142294271) has the molecular formula C16H9BrO2 and a molecular weight of 313.15 g/mol. Its IUPAC name is 9-bromobenzo[a]oxanthrene.

Molecular Properties

Compound Name9-bromobenzo[a]oxanthrene
PubChem CID142294271
Molecular FormulaC16H9BrO2
Molecular Weight313.15 g/mol
Exact Mass311.98
IUPAC Name9-bromobenzo[a]oxanthrene
SMILESBrc1ccc2c(c1)Oc1ccc3ccccc3c1O2
InChIInChI=1S/C16H9BrO2/c17-11-6-8-13-15(9-11)18-14-7-5-10-3-1-2-4-12(10)16(14)19-13/h1-9H
InChIKeyHHRLTQFWIZXYDH-UHFFFAOYSA-N
XLogP5.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.15
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzo[a]oxanthren-10-ylboronic acid;ethane
CID 142294193
3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene]
CID 164550694
2-(4-bromophenyl)dibenzo-p-dioxin
CID 126629841
12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene
CID 129289170
2-bromonaphthalene
CID 50940586
14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16,18,20,22-undecaene
CID 171757612
5,28-dibromo-12,21-dioxahexacyclo[20.8.0.02,11.03,8.014,19.025,30]triaconta-1(22),2(11),3(8),4,6,9,14,16,18,23,25(30),26,28-tridecaene
CID 568887
2-methyl-13-oxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 58185057
3-(4-bromophenyl)phenanthrene
CID 58038107
4,4'-spirobi[3,5-dioxa-4-boranuidatricyclo[7.4.0.02,6]trideca-1(13),2(6),7,9,11-pentaene]
CID 58795481
2-phenylbenzo[g][1,3,2]benzodioxaborole
CID 172742633
(2-bromoanthracen-9-yl)methanol
CID 87382861

Frequently Asked Questions

What is the IUPAC name of 9-bromobenzo[a]oxanthrene?
The IUPAC name of 9-bromobenzo[a]oxanthrene (CID 142294271) is 9-bromobenzo[a]oxanthrene.
What is the SMILES notation for 9-bromobenzo[a]oxanthrene?
The canonical SMILES for 9-bromobenzo[a]oxanthrene is Brc1ccc2c(c1)Oc1ccc3ccccc3c1O2.
What is the InChIKey of 9-bromobenzo[a]oxanthrene?
The InChIKey is HHRLTQFWIZXYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrO2/c17-11-6-8-13-15(9-11)18-14-7-5-10-3-1-2-4-12(10)16(14)19-13/h1-9H.
What are the key properties of 9-bromobenzo[a]oxanthrene?
9-bromobenzo[a]oxanthrene has a molecular weight of 313.15 g/mol, XLogP of 5.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromobenzo[a]oxanthrene is sourced from PubChem (CID 142294271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).