6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol

C16H20O3 — CID 114715429

IUPAC6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol
SMILESCOc1ccc2c(c1)C(O)CC1(CC3CCC1C3)O2
InChIInChI=1S/C16H20O3/c1-18-12-4-5-15-13(7-12)14(17)9-16(19-15)8-10-2-3-11(16)6-10/h4-5,7,10-11,14,17H,2-3,6,8-9H2,1H3
InChIKeyTTXOSUCUGYRBLD-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.07
Rot. Bonds1

About 6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol

6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol (PubChem CID 114715429) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol.

Molecular Properties

Compound Name6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol
PubChem CID114715429
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol
SMILESCOc1ccc2c(c1)C(O)CC1(CC3CCC1C3)O2
InChIInChI=1S/C16H20O3/c1-18-12-4-5-15-13(7-12)14(17)9-16(19-15)8-10-2-3-11(16)6-10/h4-5,7,10-11,14,17H,2-3,6,8-9H2,1H3
InChIKeyTTXOSUCUGYRBLD-UHFFFAOYSA-N
XLogP3.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol with MolForge

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Related Compounds

(4R)-6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-amine
CID 104947093
(4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951051
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol
CID 104950778
2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114715432
6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol
CID 114715446
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950862
(4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825058
(4R)-6-methoxy-2,2-dipropyl-3,4-dihydrochromen-4-ol
CID 104951003
(4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950824
(4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol
CID 104948836
6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol
CID 114715296
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
CID 104950800

Frequently Asked Questions

What is the IUPAC name of 6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol?
The IUPAC name of 6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol (CID 114715429) is 6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol.
What is the SMILES notation for 6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol?
The canonical SMILES for 6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol is COc1ccc2c(c1)C(O)CC1(CC3CCC1C3)O2.
What is the InChIKey of 6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol?
The InChIKey is TTXOSUCUGYRBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-18-12-4-5-15-13(7-12)14(17)9-16(19-15)8-10-2-3-11(16)6-10/h4-5,7,10-11,14,17H,2-3,6,8-9H2,1H3.
What are the key properties of 6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol?
6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol has a molecular weight of 260.33 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyspiro[3,4-dihydrochromene-2,2'-bicyclo[2.2.1]heptane]-4-ol is sourced from PubChem (CID 114715429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).