(4R)-6-chloro-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C16H21ClO2 — CID 104949249

IUPAC(4R)-6-chloro-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCC1CCC2(C[C@@H](O)c3cc(Cl)ccc3O2)C(C)C1
InChIInChI=1S/C16H21ClO2/c1-10-5-6-16(11(2)7-10)9-14(18)13-8-12(17)3-4-15(13)19-16/h3-4,8,10-11,14,18H,5-7,9H2,1-2H3/t10?,11?,14-,16?/m1/s1
InChIKeyTZTZBIHIBKTBNC-RAGRTDQJSA-N
MW280.80 g/mol
LogP4.35
Rot. Bonds

About (4R)-6-chloro-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

(4R)-6-chloro-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 104949249) has the molecular formula C16H21ClO2 and a molecular weight of 280.80 g/mol. Its IUPAC name is (4R)-6-chloro-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name(4R)-6-chloro-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID104949249
Molecular FormulaC16H21ClO2
Molecular Weight280.80 g/mol
Exact Mass280.12
IUPAC Name(4R)-6-chloro-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCC1CCC2(C[C@@H](O)c3cc(Cl)ccc3O2)C(C)C1
InChIInChI=1S/C16H21ClO2/c1-10-5-6-16(11(2)7-10)9-14(18)13-8-12(17)3-4-15(13)19-16/h3-4,8,10-11,14,18H,5-7,9H2,1-2H3/t10?,11?,14-,16?/m1/s1
InChIKeyTZTZBIHIBKTBNC-RAGRTDQJSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-6-chloro-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol with MolForge

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Related Compounds

(4R)-2',4',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950429
(4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951051
6-chloro-N-ethyl-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114711391
6-chloro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-ol
CID 114714557
(4S)-6-bromo-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947297
(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949252
6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714399
(4S)-6-chloro-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107430709
(4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol
CID 104949137
(4S)-6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol
CID 104948879
6-chloro-3'-cyclopropylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714494
(4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol
CID 104948911

Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of (4R)-6-chloro-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 104949249) is (4R)-6-chloro-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for (4R)-6-chloro-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for (4R)-6-chloro-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is CC1CCC2(C[C@@H](O)c3cc(Cl)ccc3O2)C(C)C1.
What is the InChIKey of (4R)-6-chloro-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is TZTZBIHIBKTBNC-RAGRTDQJSA-N. The full InChI is InChI=1S/C16H21ClO2/c1-10-5-6-16(11(2)7-10)9-14(18)13-8-12(17)3-4-15(13)19-16/h3-4,8,10-11,14,18H,5-7,9H2,1-2H3/t10?,11?,14-,16?/m1/s1.
What are the key properties of (4R)-6-chloro-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
(4R)-6-chloro-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 280.80 g/mol, XLogP of 4.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 104949249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).