5-bromo-13-methyl-12-methylidene-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene

C14H13BrO — CID 102357894

IUPAC5-bromo-13-methyl-12-methylidene-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene
SMILESC=C1C=CC2Oc3cc(Br)ccc3C1C2C
InChIInChI=1S/C14H13BrO/c1-8-3-6-12-9(2)14(8)11-5-4-10(15)7-13(11)16-12/h3-7,9,12,14H,1H2,2H3
InChIKeyQOEHCMAOGJSZMN-UHFFFAOYSA-N
MW277.16 g/mol
LogP4.06
Rot. Bonds

About 5-bromo-13-methyl-12-methylidene-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene

5-bromo-13-methyl-12-methylidene-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene (PubChem CID 102357894) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 5-bromo-13-methyl-12-methylidene-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene.

Molecular Properties

Compound Name5-bromo-13-methyl-12-methylidene-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene
PubChem CID102357894
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name5-bromo-13-methyl-12-methylidene-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene
SMILESC=C1C=CC2Oc3cc(Br)ccc3C1C2C
InChIInChI=1S/C14H13BrO/c1-8-3-6-12-9(2)14(8)11-5-4-10(15)7-13(11)16-12/h3-7,9,12,14H,1H2,2H3
InChIKeyQOEHCMAOGJSZMN-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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6-bromo-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
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ethyl (2R,3R)-6-bromo-3-phenyl-2,3-dihydro-1-benzofuran-2-carboxylate
CID 71519814
7-bromo-2-pentyl-3,4-dihydro-2H-chromen-4-amine
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(4S)-7-bromo-2-cyclohexyl-3,4-dihydro-2H-chromen-4-amine
CID 104945742
(4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine
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(4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945572
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CID 105404379
6,20-dibromo-2-(4-methylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),4(9),5,7,10,15,17(22),18,20-nonaene
CID 118312632
(4S)-7-bromo-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-13-methyl-12-methylidene-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene?
The IUPAC name of 5-bromo-13-methyl-12-methylidene-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene (CID 102357894) is 5-bromo-13-methyl-12-methylidene-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene.
What is the SMILES notation for 5-bromo-13-methyl-12-methylidene-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene?
The canonical SMILES for 5-bromo-13-methyl-12-methylidene-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene is C=C1C=CC2Oc3cc(Br)ccc3C1C2C.
What is the InChIKey of 5-bromo-13-methyl-12-methylidene-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene?
The InChIKey is QOEHCMAOGJSZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c1-8-3-6-12-9(2)14(8)11-5-4-10(15)7-13(11)16-12/h3-7,9,12,14H,1H2,2H3.
What are the key properties of 5-bromo-13-methyl-12-methylidene-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene?
5-bromo-13-methyl-12-methylidene-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene has a molecular weight of 277.16 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-13-methyl-12-methylidene-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraene is sourced from PubChem (CID 102357894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).