(4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C16H22O3 — CID 104948820

IUPAC(4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCOc1ccc2c(c1)OC1(CCCCC1C)C[C@@H]2O
InChIInChI=1S/C16H22O3/c1-11-5-3-4-8-16(11)10-14(17)13-7-6-12(18-2)9-15(13)19-16/h6-7,9,11,14,17H,3-5,8,10H2,1-2H3/t11?,14-,16?/m0/s1
InChIKeyBYSHWVZJBHDJLG-WMEQCIOUSA-N
MW262.35 g/mol
LogP3.46
Rot. Bonds1

About (4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

(4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 104948820) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name(4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID104948820
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCOc1ccc2c(c1)OC1(CCCCC1C)C[C@@H]2O
InChIInChI=1S/C16H22O3/c1-11-5-3-4-8-16(11)10-14(17)13-7-6-12(18-2)9-15(13)19-16/h6-7,9,11,14,17H,3-5,8,10H2,1-2H3/t11?,14-,16?/m0/s1
InChIKeyBYSHWVZJBHDJLG-WMEQCIOUSA-N
XLogP3.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-7-methoxy-2'-methylspiro[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

2'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114714363
(4R)-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 104951606
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946846
3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 106875058
(4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951051
3-amino-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 82020765
(4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825043
(4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol
CID 104948836
(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
2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114715432
(4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948654

Frequently Asked Questions

What is the IUPAC name of (4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of (4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 104948820) is (4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for (4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for (4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is COc1ccc2c(c1)OC1(CCCCC1C)C[C@@H]2O.
What is the InChIKey of (4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is BYSHWVZJBHDJLG-WMEQCIOUSA-N. The full InChI is InChI=1S/C16H22O3/c1-11-5-3-4-8-16(11)10-14(17)13-7-6-12(18-2)9-15(13)19-16/h6-7,9,11,14,17H,3-5,8,10H2,1-2H3/t11?,14-,16?/m0/s1.
What are the key properties of (4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
(4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 262.35 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 104948820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).