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

C17H24O3 — CID 104951051

IUPAC(4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCOc1ccc2c(c1)[C@H](O)CC1(CCC(C)CC1C)O2
InChIInChI=1S/C17H24O3/c1-11-6-7-17(12(2)8-11)10-15(18)14-9-13(19-3)4-5-16(14)20-17/h4-5,9,11-12,15,18H,6-8,10H2,1-3H3/t11?,12?,15-,17?/m1/s1
InChIKeyXWFSPEULPXSBCR-ZOQGINPYSA-N
MW276.38 g/mol
LogP3.71
Rot. Bonds1

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

(4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 104951051) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name(4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID104951051
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCOc1ccc2c(c1)[C@H](O)CC1(CCC(C)CC1C)O2
InChIInChI=1S/C17H24O3/c1-11-6-7-17(12(2)8-11)10-15(18)14-9-13(19-3)4-5-16(14)20-17/h4-5,9,11-12,15,18H,6-8,10H2,1-3H3/t11?,12?,15-,17?/m1/s1
InChIKeyXWFSPEULPXSBCR-ZOQGINPYSA-N
XLogP3.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-6-methoxy-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-chloro-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949249
6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol
CID 114715429
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol
CID 104950778
2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114715432
(4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948820
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950862
(4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825058
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
CID 104950800
(4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950824
6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol
CID 114715446
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946846

Frequently Asked Questions

What is the IUPAC name of (4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of (4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 104951051) is (4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for (4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for (4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is COc1ccc2c(c1)[C@H](O)CC1(CCC(C)CC1C)O2.
What is the InChIKey of (4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is XWFSPEULPXSBCR-ZOQGINPYSA-N. The full InChI is InChI=1S/C17H24O3/c1-11-6-7-17(12(2)8-11)10-15(18)14-9-13(19-3)4-5-16(14)20-17/h4-5,9,11-12,15,18H,6-8,10H2,1-3H3/t11?,12?,15-,17?/m1/s1.
What are the key properties of (4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
(4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 276.38 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 104951051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).