1-bromo-9-(furan-2-yl)tricyclo[4.2.1.12,5]dec-3-en-9-ol

C14H15BrO2 — CID 72833829

IUPAC1-bromo-9-(furan-2-yl)tricyclo[4.2.1.12,5]dec-3-en-9-ol
SMILESOC1(c2ccco2)C2CCC1(Br)C1C=CC2C1
InChIInChI=1S/C14H15BrO2/c15-13-6-5-11(9-3-4-10(13)8-9)14(13,16)12-2-1-7-17-12/h1-4,7,9-11,16H,5-6,8H2
InChIKeyHMTVXOGDHDATFO-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.22
Rot. Bonds1

About 1-bromo-9-(furan-2-yl)tricyclo[4.2.1.12,5]dec-3-en-9-ol

1-bromo-9-(furan-2-yl)tricyclo[4.2.1.12,5]dec-3-en-9-ol (PubChem CID 72833829) has the molecular formula C14H15BrO2 and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-bromo-9-(furan-2-yl)tricyclo[4.2.1.12,5]dec-3-en-9-ol.

Molecular Properties

Compound Name1-bromo-9-(furan-2-yl)tricyclo[4.2.1.12,5]dec-3-en-9-ol
PubChem CID72833829
Molecular FormulaC14H15BrO2
Molecular Weight295.18 g/mol
Exact Mass294.03
IUPAC Name1-bromo-9-(furan-2-yl)tricyclo[4.2.1.12,5]dec-3-en-9-ol
SMILESOC1(c2ccco2)C2CCC1(Br)C1C=CC2C1
InChIInChI=1S/C14H15BrO2/c15-13-6-5-11(9-3-4-10(13)8-9)14(13,16)12-2-1-7-17-12/h1-4,7,9-11,16H,5-6,8H2
InChIKeyHMTVXOGDHDATFO-UHFFFAOYSA-N
XLogP3.22
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-(furan-2-yl)cyclobutan-1-ol
CID 80561314
2-(furan-2-yl)bicyclo[2.2.1]heptan-2-ol
CID 78066699
[1-(furan-2-yl)cyclopentyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 58734452
1-(furan-2-yl)-4,4-dimethylcyclohex-2-en-1-ol
CID 14142136
(1R,2S,10S,11R)-2-bromotetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7,12-tetraen-9-one
CID 98557730
2-ethyl-1-(furan-2-yl)cyclopropan-1-ol
CID 79332229
6-bromo-2-(furan-2-yl)-3,4-dihydro-1H-naphthalen-2-ol
CID 63948544
O-[[1-(furan-2-yl)cyclopropyl]methyl]hydroxylamine
CID 83681987
[1-(furan-2-yl)cyclopropyl]methanamine
CID 15611188
4-(furan-2-yl)-3-methoxyoxan-4-ol
CID 127002501
1-[(1R,2S)-1-(furan-2-yl)-2-hydroxycyclohexyl]ethanone
CID 11458439
4-(furan-2-yl)-4-methylpiperidine
CID 83815867

Frequently Asked Questions

What is the IUPAC name of 1-bromo-9-(furan-2-yl)tricyclo[4.2.1.12,5]dec-3-en-9-ol?
The IUPAC name of 1-bromo-9-(furan-2-yl)tricyclo[4.2.1.12,5]dec-3-en-9-ol (CID 72833829) is 1-bromo-9-(furan-2-yl)tricyclo[4.2.1.12,5]dec-3-en-9-ol.
What is the SMILES notation for 1-bromo-9-(furan-2-yl)tricyclo[4.2.1.12,5]dec-3-en-9-ol?
The canonical SMILES for 1-bromo-9-(furan-2-yl)tricyclo[4.2.1.12,5]dec-3-en-9-ol is OC1(c2ccco2)C2CCC1(Br)C1C=CC2C1.
What is the InChIKey of 1-bromo-9-(furan-2-yl)tricyclo[4.2.1.12,5]dec-3-en-9-ol?
The InChIKey is HMTVXOGDHDATFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO2/c15-13-6-5-11(9-3-4-10(13)8-9)14(13,16)12-2-1-7-17-12/h1-4,7,9-11,16H,5-6,8H2.
What are the key properties of 1-bromo-9-(furan-2-yl)tricyclo[4.2.1.12,5]dec-3-en-9-ol?
1-bromo-9-(furan-2-yl)tricyclo[4.2.1.12,5]dec-3-en-9-ol has a molecular weight of 295.18 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-9-(furan-2-yl)tricyclo[4.2.1.12,5]dec-3-en-9-ol is sourced from PubChem (CID 72833829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).