6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol

C17H23BrO2 — CID 114715617

IUPAC6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
SMILESCCC1CCCC2(CC1)CC(O)c1cc(Br)ccc1O2
InChIInChI=1S/C17H23BrO2/c1-2-12-4-3-8-17(9-7-12)11-15(19)14-10-13(18)5-6-16(14)20-17/h5-6,10,12,15,19H,2-4,7-9,11H2,1H3
InChIKeyQJZWGTBDLVBFCB-UHFFFAOYSA-N
MW339.27 g/mol
LogP4.99
Rot. Bonds1

About 6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol

6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol (PubChem CID 114715617) has the molecular formula C17H23BrO2 and a molecular weight of 339.27 g/mol. Its IUPAC name is 6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol.

Molecular Properties

Compound Name6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
PubChem CID114715617
Molecular FormulaC17H23BrO2
Molecular Weight339.27 g/mol
Exact Mass338.09
IUPAC Name6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
SMILESCCC1CCCC2(CC1)CC(O)c1cc(Br)ccc1O2
InChIInChI=1S/C17H23BrO2/c1-2-12-4-3-8-17(9-7-12)11-15(19)14-10-13(18)5-6-16(14)20-17/h5-6,10,12,15,19H,2-4,7-9,11H2,1H3
InChIKeyQJZWGTBDLVBFCB-UHFFFAOYSA-N
XLogP4.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol with MolForge

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Related Compounds

(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
(4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 104951385
6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715550
(4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104950848
6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114713186
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-bromospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol
CID 114715532
6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450779

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
The IUPAC name of 6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol (CID 114715617) is 6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol.
What is the SMILES notation for 6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
The canonical SMILES for 6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol is CCC1CCCC2(CC1)CC(O)c1cc(Br)ccc1O2.
What is the InChIKey of 6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
The InChIKey is QJZWGTBDLVBFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrO2/c1-2-12-4-3-8-17(9-7-12)11-15(19)14-10-13(18)5-6-16(14)20-17/h5-6,10,12,15,19H,2-4,7-9,11H2,1H3.
What are the key properties of 6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol has a molecular weight of 339.27 g/mol, XLogP of 4.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol is sourced from PubChem (CID 114715617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).