(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol

C15H19ClO2 — CID 104949252

IUPAC(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
SMILESO[C@@H]1CC2(CCCCCC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H19ClO2/c16-11-5-6-14-12(9-11)13(17)10-15(18-14)7-3-1-2-4-8-15/h5-6,9,13,17H,1-4,7-8,10H2/t13-/m1/s1
InChIKeyMRWPGRUCLDNNLT-CYBMUJFWSA-N
MW266.77 g/mol
LogP4.25
Rot. Bonds

About (4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol

(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol (PubChem CID 104949252) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is (4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol.

Molecular Properties

Compound Name(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
PubChem CID104949252
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
SMILESO[C@@H]1CC2(CCCCCC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H19ClO2/c16-11-5-6-14-12(9-11)13(17)10-15(18-14)7-3-1-2-4-8-15/h5-6,9,13,17H,1-4,7-8,10H2/t13-/m1/s1
InChIKeyMRWPGRUCLDNNLT-CYBMUJFWSA-N
XLogP4.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol with MolForge

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Related Compounds

6-chloro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-ol
CID 114714557
(4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948992
6-chloro-3'-cyclopropylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714494
(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
CID 104948441
(4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol
CID 104949137
6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714399
(4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol
CID 104948911
(4'R)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol
CID 104949139
(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949194
(4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948996
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950862
(4R)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949110

Frequently Asked Questions

What is the IUPAC name of (4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
The IUPAC name of (4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol (CID 104949252) is (4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol.
What is the SMILES notation for (4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
The canonical SMILES for (4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol is O[C@@H]1CC2(CCCCCC2)Oc2ccc(Cl)cc21.
What is the InChIKey of (4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
The InChIKey is MRWPGRUCLDNNLT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19ClO2/c16-11-5-6-14-12(9-11)13(17)10-15(18-14)7-3-1-2-4-8-15/h5-6,9,13,17H,1-4,7-8,10H2/t13-/m1/s1.
What are the key properties of (4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol has a molecular weight of 266.77 g/mol, XLogP of 4.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol is sourced from PubChem (CID 104949252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).