(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C15H20O3 — CID 104950862

IUPAC(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCOc1ccc2c(c1)[C@@H](O)CC1(CCCCC1)O2
InChIInChI=1S/C15H20O3/c1-17-11-5-6-14-12(9-11)13(16)10-15(18-14)7-3-2-4-8-15/h5-6,9,13,16H,2-4,7-8,10H2,1H3/t13-/m0/s1
InChIKeyOERVVLDEYYSDMT-ZDUSSCGKSA-N
MW248.32 g/mol
LogP3.21
Rot. Bonds1

About (4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 104950862) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID104950862
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCOc1ccc2c(c1)[C@@H](O)CC1(CCCCC1)O2
InChIInChI=1S/C15H20O3/c1-17-11-5-6-14-12(9-11)13(16)10-15(18-14)7-3-2-4-8-15/h5-6,9,13,16H,2-4,7-8,10H2,1H3/t13-/m0/s1
InChIKeyOERVVLDEYYSDMT-ZDUSSCGKSA-N
XLogP3.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol with MolForge

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Related Compounds

6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
CID 114715358
(4R)-6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
CID 104950989
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 114715390
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 59620250
(4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104950848
(4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950824
(4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825058
(4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104950732
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
CID 104950800
(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
CID 104948441
(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949252
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713133

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of (4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 104950862) is (4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for (4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for (4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is COc1ccc2c(c1)[C@@H](O)CC1(CCCCC1)O2.
What is the InChIKey of (4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is OERVVLDEYYSDMT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20O3/c1-17-11-5-6-14-12(9-11)13(16)10-15(18-14)7-3-2-4-8-15/h5-6,9,13,16H,2-4,7-8,10H2,1H3/t13-/m0/s1.
What are the key properties of (4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 248.32 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 104950862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).