6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C15H19BrO2 — CID 114715652

IUPAC6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCC1CCC2(CC1)CC(O)c1cc(Br)ccc1O2
InChIInChI=1S/C15H19BrO2/c1-10-4-6-15(7-5-10)9-13(17)12-8-11(16)2-3-14(12)18-15/h2-3,8,10,13,17H,4-7,9H2,1H3
InChIKeyHUDPUOLMRCNFAF-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.21
Rot. Bonds

About 6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 114715652) has the molecular formula C15H19BrO2 and a molecular weight of 311.22 g/mol. Its IUPAC name is 6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID114715652
Molecular FormulaC15H19BrO2
Molecular Weight311.22 g/mol
Exact Mass310.06
IUPAC Name6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCC1CCC2(CC1)CC(O)c1cc(Br)ccc1O2
InChIInChI=1S/C15H19BrO2/c1-10-4-6-15(7-5-10)9-13(17)12-8-11(16)2-3-14(12)18-15/h2-3,8,10,13,17H,4-7,9H2,1H3
InChIKeyHUDPUOLMRCNFAF-UHFFFAOYSA-N
XLogP4.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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

(4R)-6-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951521
6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715550
(4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951278
7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114714735
(4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 104951385
6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 114715617
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
(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
3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114715175
6-bromo-2',2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 114715593

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of 6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 114715652) is 6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for 6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for 6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is CC1CCC2(CC1)CC(O)c1cc(Br)ccc1O2.
What is the InChIKey of 6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is HUDPUOLMRCNFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO2/c1-10-4-6-15(7-5-10)9-13(17)12-8-11(16)2-3-14(12)18-15/h2-3,8,10,13,17H,4-7,9H2,1H3.
What are the key properties of 6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 311.22 g/mol, XLogP of 4.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 114715652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).