7-methoxyspiro[chromene-2,1'-cycloheptane]

C16H20O2 — CID 15081060

IUPAC7-methoxyspiro[chromene-2,1'-cycloheptane]
SMILESCOc1ccc2c(c1)OC1(C=C2)CCCCCC1
InChIInChI=1S/C16H20O2/c1-17-14-7-6-13-8-11-16(18-15(13)12-14)9-4-2-3-5-10-16/h6-8,11-12H,2-5,9-10H2,1H3
InChIKeyGOYIUSLDSCQIAS-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.19
Rot. Bonds1

About 7-methoxyspiro[chromene-2,1'-cycloheptane]

7-methoxyspiro[chromene-2,1'-cycloheptane] (PubChem CID 15081060) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 7-methoxyspiro[chromene-2,1'-cycloheptane].

Molecular Properties

Compound Name7-methoxyspiro[chromene-2,1'-cycloheptane]
PubChem CID15081060
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name7-methoxyspiro[chromene-2,1'-cycloheptane]
SMILESCOc1ccc2c(c1)OC1(C=C2)CCCCCC1
InChIInChI=1S/C16H20O2/c1-17-14-7-6-13-8-11-16(18-15(13)12-14)9-4-2-3-5-10-16/h6-8,11-12H,2-5,9-10H2,1H3
InChIKeyGOYIUSLDSCQIAS-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
CID 82046694
6-methoxyspiro[chromene-2,3'-pyrrolidine]
CID 82045975
2-(6-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046777
2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
CID 82046695
3-amino-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 82020765
7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one
CID 114672429
3,7-dimethoxy-2,2-dimethylchromene
CID 70516159
(5aR,6aS)-3,9-dimethoxyspiro[5a,6a-dihydrochromeno[3,2-b]xanthene-6,1'-cyclohexane]-13-one
CID 70621180
6-butoxyspiro[chromene-2,3'-pyrrolidine]
CID 82045979
2-(6-chlorospiro[chromene-2,4'-piperidine]-1'-yl)-1-(2,4-dimethoxyphenyl)ethanol
CID 110222646
6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]
CID 141173693
7-methoxy-1'-methyl-6-nitrospiro[chromene-2,4'-piperidine]
CID 86661698

Frequently Asked Questions

What is the IUPAC name of 7-methoxyspiro[chromene-2,1'-cycloheptane]?
The IUPAC name of 7-methoxyspiro[chromene-2,1'-cycloheptane] (CID 15081060) is 7-methoxyspiro[chromene-2,1'-cycloheptane].
What is the SMILES notation for 7-methoxyspiro[chromene-2,1'-cycloheptane]?
The canonical SMILES for 7-methoxyspiro[chromene-2,1'-cycloheptane] is COc1ccc2c(c1)OC1(C=C2)CCCCCC1.
What is the InChIKey of 7-methoxyspiro[chromene-2,1'-cycloheptane]?
The InChIKey is GOYIUSLDSCQIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-17-14-7-6-13-8-11-16(18-15(13)12-14)9-4-2-3-5-10-16/h6-8,11-12H,2-5,9-10H2,1H3.
What are the key properties of 7-methoxyspiro[chromene-2,1'-cycloheptane]?
7-methoxyspiro[chromene-2,1'-cycloheptane] has a molecular weight of 244.33 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyspiro[chromene-2,1'-cycloheptane] is sourced from PubChem (CID 15081060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).