1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromo-2-pyridinyl)ethanol

C18H18BrNO — CID 115833216

IUPAC1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromo-2-pyridinyl)ethanol
SMILESOC(Cc1ccc(Br)cn1)C1C2CCc3ccccc3C21
InChIInChI=1S/C18H18BrNO/c19-12-6-7-13(20-10-12)9-16(21)18-15-8-5-11-3-1-2-4-14(11)17(15)18/h1-4,6-7,10,15-18,21H,5,8-9H2
InChIKeyKUEDAVHPKXNVHM-UHFFFAOYSA-N
MW344.25 g/mol
LogP3.72
Rot. Bonds3

About 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromo-2-pyridinyl)ethanol

1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromo-2-pyridinyl)ethanol (PubChem CID 115833216) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromo-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromo-2-pyridinyl)ethanol
PubChem CID115833216
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromo-2-pyridinyl)ethanol
SMILESOC(Cc1ccc(Br)cn1)C1C2CCc3ccccc3C21
InChIInChI=1S/C18H18BrNO/c19-12-6-7-13(20-10-12)9-16(21)18-15-8-5-11-3-1-2-4-14(11)17(15)18/h1-4,6-7,10,15-18,21H,5,8-9H2
InChIKeyKUEDAVHPKXNVHM-UHFFFAOYSA-N
XLogP3.72
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromo-2-pyridinyl)ethanol with MolForge

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Related Compounds

1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(furan-3-yl)ethanol
CID 115830319
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-methylpentan-1-ol
CID 115789319
2-(5-bromo-2-pyridinyl)-1-cyclooctylethanol
CID 104800459
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-methylpent-4-en-1-ol
CID 115834493
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-ol
CID 115784012
2-(5-bromo-2-pyridinyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 104802066
[2-(5-bromo-2-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105218838
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-bromo-1-methylpyrazol-5-yl)methanol
CID 115839213
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol
CID 115802125
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-pyridinyl)ethanol
CID 115833185
1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
CID 132609163
3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol
CID 103456719

Frequently Asked Questions

What is the IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromo-2-pyridinyl)ethanol?
The IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromo-2-pyridinyl)ethanol (CID 115833216) is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromo-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromo-2-pyridinyl)ethanol?
The canonical SMILES for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromo-2-pyridinyl)ethanol is OC(Cc1ccc(Br)cn1)C1C2CCc3ccccc3C21.
What is the InChIKey of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromo-2-pyridinyl)ethanol?
The InChIKey is KUEDAVHPKXNVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c19-12-6-7-13(20-10-12)9-16(21)18-15-8-5-11-3-1-2-4-14(11)17(15)18/h1-4,6-7,10,15-18,21H,5,8-9H2.
What are the key properties of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromo-2-pyridinyl)ethanol?
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromo-2-pyridinyl)ethanol has a molecular weight of 344.25 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromo-2-pyridinyl)ethanol is sourced from PubChem (CID 115833216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).