3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C16H22O4 — CID 106875058

IUPAC3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCOc1ccc2c(c1)OC1(CCCC(OC)C1)CC2O
InChIInChI=1S/C16H22O4/c1-18-11-5-6-13-14(17)10-16(20-15(13)8-11)7-3-4-12(9-16)19-2/h5-6,8,12,14,17H,3-4,7,9-10H2,1-2H3
InChIKeyUQKOWUVUDUQFOK-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.84
Rot. Bonds2

About 3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 106875058) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID106875058
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCOc1ccc2c(c1)OC1(CCCC(OC)C1)CC2O
InChIInChI=1S/C16H22O4/c1-18-11-5-6-13-14(17)10-16(20-15(13)8-11)7-3-4-12(9-16)19-2/h5-6,8,12,14,17H,3-4,7,9-10H2,1-2H3
InChIKeyUQKOWUVUDUQFOK-UHFFFAOYSA-N
XLogP2.84
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825043
(4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948654
(4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825058
(4S)-7-methoxy-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948842
(4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948786
7-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 82045910
(4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948820
(4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104948800
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950862
3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 106875112
2'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114714363
(4R)-7-methoxy-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 104948592

Frequently Asked Questions

What is the IUPAC name of 3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of 3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 106875058) is 3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for 3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for 3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is COc1ccc2c(c1)OC1(CCCC(OC)C1)CC2O.
What is the InChIKey of 3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is UQKOWUVUDUQFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-18-11-5-6-13-14(17)10-16(20-15(13)8-11)7-3-4-12(9-16)19-2/h5-6,8,12,14,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 278.35 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 106875058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).