6-bromo-1-ethylspiro[3H-indene-2,1'-cyclopropane]-1-ol

C13H15BrO — CID 177283981

IUPAC6-bromo-1-ethylspiro[3H-indene-2,1'-cyclopropane]-1-ol
SMILESCCC1(O)c2cc(Br)ccc2CC12CC2
InChIInChI=1S/C13H15BrO/c1-2-13(15)11-7-10(14)4-3-9(11)8-12(13)5-6-12/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyISYFMQCKYWCPSH-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.38
Rot. Bonds1

About 6-bromo-1-ethylspiro[3H-indene-2,1'-cyclopropane]-1-ol

6-bromo-1-ethylspiro[3H-indene-2,1'-cyclopropane]-1-ol (PubChem CID 177283981) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 6-bromo-1-ethylspiro[3H-indene-2,1'-cyclopropane]-1-ol.

Molecular Properties

Compound Name6-bromo-1-ethylspiro[3H-indene-2,1'-cyclopropane]-1-ol
PubChem CID177283981
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name6-bromo-1-ethylspiro[3H-indene-2,1'-cyclopropane]-1-ol
SMILESCCC1(O)c2cc(Br)ccc2CC12CC2
InChIInChI=1S/C13H15BrO/c1-2-13(15)11-7-10(14)4-3-9(11)8-12(13)5-6-12/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyISYFMQCKYWCPSH-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 65145586
6-bromo-3,3-diethyl-1H-inden-2-one
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CID 58197015
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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-ethylspiro[3H-indene-2,1'-cyclopropane]-1-ol?
The IUPAC name of 6-bromo-1-ethylspiro[3H-indene-2,1'-cyclopropane]-1-ol (CID 177283981) is 6-bromo-1-ethylspiro[3H-indene-2,1'-cyclopropane]-1-ol.
What is the SMILES notation for 6-bromo-1-ethylspiro[3H-indene-2,1'-cyclopropane]-1-ol?
The canonical SMILES for 6-bromo-1-ethylspiro[3H-indene-2,1'-cyclopropane]-1-ol is CCC1(O)c2cc(Br)ccc2CC12CC2.
What is the InChIKey of 6-bromo-1-ethylspiro[3H-indene-2,1'-cyclopropane]-1-ol?
The InChIKey is ISYFMQCKYWCPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c1-2-13(15)11-7-10(14)4-3-9(11)8-12(13)5-6-12/h3-4,7,15H,2,5-6,8H2,1H3.
What are the key properties of 6-bromo-1-ethylspiro[3H-indene-2,1'-cyclopropane]-1-ol?
6-bromo-1-ethylspiro[3H-indene-2,1'-cyclopropane]-1-ol has a molecular weight of 267.17 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-ethylspiro[3H-indene-2,1'-cyclopropane]-1-ol is sourced from PubChem (CID 177283981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).