2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol

C16H22O3 — CID 114715432

IUPAC2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
SMILESCCC1CCCC12CC(O)c1cc(OC)ccc1O2
InChIInChI=1S/C16H22O3/c1-3-11-5-4-8-16(11)10-14(17)13-9-12(18-2)6-7-15(13)19-16/h6-7,9,11,14,17H,3-5,8,10H2,1-2H3
InChIKeyWUGITGOJLWLTIA-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.46
Rot. Bonds2

About 2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol

2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol (PubChem CID 114715432) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol.

Molecular Properties

Compound Name2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
PubChem CID114715432
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
SMILESCCC1CCCC12CC(O)c1cc(OC)ccc1O2
InChIInChI=1S/C16H22O3/c1-3-11-5-4-8-16(11)10-14(17)13-9-12(18-2)6-7-15(13)19-16/h6-7,9,11,14,17H,3-5,8,10H2,1-2H3
InChIKeyWUGITGOJLWLTIA-UHFFFAOYSA-N
XLogP3.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

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Related Compounds

2'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114714363
6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715465
(4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104950848
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol
CID 104950778
(4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951051
6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol
CID 114715429
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950862
(4R)-2'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951551
7-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714615
(4R)-6-methoxy-2,2-dipropyl-3,4-dihydrochromen-4-ol
CID 104951003
(4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948820
(4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950824

Frequently Asked Questions

What is the IUPAC name of 2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
The IUPAC name of 2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol (CID 114715432) is 2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol.
What is the SMILES notation for 2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
The canonical SMILES for 2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol is CCC1CCCC12CC(O)c1cc(OC)ccc1O2.
What is the InChIKey of 2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
The InChIKey is WUGITGOJLWLTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-3-11-5-4-8-16(11)10-14(17)13-9-12(18-2)6-7-15(13)19-16/h6-7,9,11,14,17H,3-5,8,10H2,1-2H3.
What are the key properties of 2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol has a molecular weight of 262.35 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol is sourced from PubChem (CID 114715432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).