(4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C17H24O3 — CID 104948654

IUPAC(4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCCC1CCCC2(C1)C[C@@H](O)c1ccc(OC)cc1O2
InChIInChI=1S/C17H24O3/c1-3-12-5-4-8-17(10-12)11-15(18)14-7-6-13(19-2)9-16(14)20-17/h6-7,9,12,15,18H,3-5,8,10-11H2,1-2H3/t12?,15-,17?/m1/s1
InChIKeyIDPQPMIRXWJKMB-YAJUMTOWSA-N
MW276.38 g/mol
LogP3.85
Rot. Bonds2

About (4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

(4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 104948654) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name(4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID104948654
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCCC1CCCC2(C1)C[C@@H](O)c1ccc(OC)cc1O2
InChIInChI=1S/C17H24O3/c1-3-12-5-4-8-17(10-12)11-15(18)14-7-6-13(19-2)9-16(14)20-17/h6-7,9,12,15,18H,3-5,8,10-11H2,1-2H3/t12?,15-,17?/m1/s1
InChIKeyIDPQPMIRXWJKMB-YAJUMTOWSA-N
XLogP3.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol with MolForge

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Related Compounds

3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 106875058
(4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104950848
(4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948786
2'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114714363
(4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104948800
(4R)-7-methoxy-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 104948592
(4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825043
(4S)-7-methoxy-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948842
7-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 82045910
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950862
(4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946976
(4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948820

Frequently Asked Questions

What is the IUPAC name of (4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of (4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 104948654) is (4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for (4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for (4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is CCC1CCCC2(C1)C[C@@H](O)c1ccc(OC)cc1O2.
What is the InChIKey of (4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is IDPQPMIRXWJKMB-YAJUMTOWSA-N. The full InChI is InChI=1S/C17H24O3/c1-3-12-5-4-8-17(10-12)11-15(18)14-7-6-13(19-2)9-16(14)20-17/h6-7,9,12,15,18H,3-5,8,10-11H2,1-2H3/t12?,15-,17?/m1/s1.
What are the key properties of (4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
(4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 276.38 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 104948654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).