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

C17H23BrO2 — CID 114715550

IUPAC6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCCCC1CCC2(CC1)CC(O)c1cc(Br)ccc1O2
InChIInChI=1S/C17H23BrO2/c1-2-3-12-6-8-17(9-7-12)11-15(19)14-10-13(18)4-5-16(14)20-17/h4-5,10,12,15,19H,2-3,6-9,11H2,1H3
InChIKeyDJNDFXKVWZOEMB-UHFFFAOYSA-N
MW339.27 g/mol
LogP4.99
Rot. Bonds2

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

6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 114715550) has the molecular formula C17H23BrO2 and a molecular weight of 339.27 g/mol. Its IUPAC name is 6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID114715550
Molecular FormulaC17H23BrO2
Molecular Weight339.27 g/mol
Exact Mass338.09
IUPAC Name6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCCCC1CCC2(CC1)CC(O)c1cc(Br)ccc1O2
InChIInChI=1S/C17H23BrO2/c1-2-3-12-6-8-17(9-7-12)11-15(19)14-10-13(18)4-5-16(14)20-17/h4-5,10,12,15,19H,2-3,6-9,11H2,1H3
InChIKeyDJNDFXKVWZOEMB-UHFFFAOYSA-N
XLogP4.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 114715617
6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715652
6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713221
(4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951278
(4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949941
(4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945678
6-bromospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol
CID 114715532
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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of 6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 114715550) is 6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for 6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for 6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is CCCC1CCC2(CC1)CC(O)c1cc(Br)ccc1O2.
What is the InChIKey of 6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is DJNDFXKVWZOEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrO2/c1-2-3-12-6-8-17(9-7-12)11-15(19)14-10-13(18)4-5-16(14)20-17/h4-5,10,12,15,19H,2-3,6-9,11H2,1H3.
What are the key properties of 6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 339.27 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 114715550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).