7-bromo-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one

C15H17BrO2 — CID 114673376

IUPAC7-bromo-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESCC1CCC2(CC1)CC(=O)c1ccc(Br)cc1O2
InChIInChI=1S/C15H17BrO2/c1-10-4-6-15(7-5-10)9-13(17)12-3-2-11(16)8-14(12)18-15/h2-3,8,10H,4-7,9H2,1H3
InChIKeyRQCDNLBDIPILPU-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.36
Rot. Bonds

About 7-bromo-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one

7-bromo-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one (PubChem CID 114673376) has the molecular formula C15H17BrO2 and a molecular weight of 309.20 g/mol. Its IUPAC name is 7-bromo-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name7-bromo-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
PubChem CID114673376
Molecular FormulaC15H17BrO2
Molecular Weight309.20 g/mol
Exact Mass308.04
IUPAC Name7-bromo-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESCC1CCC2(CC1)CC(=O)c1ccc(Br)cc1O2
InChIInChI=1S/C15H17BrO2/c1-10-4-6-15(7-5-10)9-13(17)12-3-2-11(16)8-14(12)18-15/h2-3,8,10H,4-7,9H2,1H3
InChIKeyRQCDNLBDIPILPU-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromospiro[3H-chromene-2,4'-oxane]-4-one
CID 59898676
7-bromo-1',1',5'-trimethylspiro[3H-chromene-2,3'-cyclohexane]-4-one
CID 114673173
7-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 114674789
6-bromo-4'-propan-2-ylspiro[3H-chromene-2,1'-cycloheptane]-4-one
CID 114674282
7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 47001263
6-bromo-3'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 58424743
7-bromo-2'-ethylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 114673264
6-chloro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 114672944
6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 114672193
6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715652
6-bromo-1',1',5',5'-tetramethylspiro[3H-chromene-2,3'-cyclohexane]-4-one
CID 114674411
7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114714735

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one?
The IUPAC name of 7-bromo-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one (CID 114673376) is 7-bromo-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 7-bromo-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one?
The canonical SMILES for 7-bromo-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one is CC1CCC2(CC1)CC(=O)c1ccc(Br)cc1O2.
What is the InChIKey of 7-bromo-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one?
The InChIKey is RQCDNLBDIPILPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO2/c1-10-4-6-15(7-5-10)9-13(17)12-3-2-11(16)8-14(12)18-15/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 7-bromo-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one?
7-bromo-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one has a molecular weight of 309.20 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 114673376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).