(4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol

C15H19BrO2 — CID 104951385

IUPAC(4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
SMILESCCC1CCC2(C1)C[C@@H](O)c1cc(Br)ccc1O2
InChIInChI=1S/C15H19BrO2/c1-2-10-5-6-15(8-10)9-13(17)12-7-11(16)3-4-14(12)18-15/h3-4,7,10,13,17H,2,5-6,8-9H2,1H3/t10?,13-,15?/m1/s1
InChIKeyBVWUKMLAUXXSBO-VROQLPPWSA-N
MW311.22 g/mol
LogP4.21
Rot. Bonds1

About (4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol

(4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol (PubChem CID 104951385) has the molecular formula C15H19BrO2 and a molecular weight of 311.22 g/mol. Its IUPAC name is (4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol.

Molecular Properties

Compound Name(4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
PubChem CID104951385
Molecular FormulaC15H19BrO2
Molecular Weight311.22 g/mol
Exact Mass310.06
IUPAC Name(4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
SMILESCCC1CCC2(C1)C[C@@H](O)c1cc(Br)ccc1O2
InChIInChI=1S/C15H19BrO2/c1-2-10-5-6-15(8-10)9-13(17)12-7-11(16)3-4-14(12)18-15/h3-4,7,10,13,17H,2,5-6,8-9H2,1H3/t10?,13-,15?/m1/s1
InChIKeyBVWUKMLAUXXSBO-VROQLPPWSA-N
XLogP4.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 114715617
6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715550
(4S)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951256
(4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951482
6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715652
6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714399
(4R)-6-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951521
(4S)-6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947180
6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450779
6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713327
(4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951278
6-bromospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol
CID 114715532

Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
The IUPAC name of (4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol (CID 104951385) is (4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol.
What is the SMILES notation for (4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
The canonical SMILES for (4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol is CCC1CCC2(C1)C[C@@H](O)c1cc(Br)ccc1O2.
What is the InChIKey of (4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
The InChIKey is BVWUKMLAUXXSBO-VROQLPPWSA-N. The full InChI is InChI=1S/C15H19BrO2/c1-2-10-5-6-15(8-10)9-13(17)12-7-11(16)3-4-14(12)18-15/h3-4,7,10,13,17H,2,5-6,8-9H2,1H3/t10?,13-,15?/m1/s1.
What are the key properties of (4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
(4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol has a molecular weight of 311.22 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol is sourced from PubChem (CID 104951385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).