6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol

C16H23NO3 — CID 114715390

IUPAC6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
SMILESCOc1ccc2c(c1)C(O)CC1(CCCN(C)CC1)O2
InChIInChI=1S/C16H23NO3/c1-17-8-3-6-16(7-9-17)11-14(18)13-10-12(19-2)4-5-15(13)20-16/h4-5,10,14,18H,3,6-9,11H2,1-2H3
InChIKeyMBCKRXGDOZAPHJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.37
Rot. Bonds1

About 6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol

6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol (PubChem CID 114715390) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol.

Molecular Properties

Compound Name6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
PubChem CID114715390
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
SMILESCOc1ccc2c(c1)C(O)CC1(CCCN(C)CC1)O2
InChIInChI=1S/C16H23NO3/c1-17-8-3-6-16(7-9-17)11-14(18)13-10-12(19-2)4-5-15(13)20-16/h4-5,10,14,18H,3,6-9,11H2,1-2H3
InChIKeyMBCKRXGDOZAPHJ-UHFFFAOYSA-N
XLogP2.37
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 59620250
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950862
(4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948992
(4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104950732
(4R)-6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
CID 104950989
6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
CID 114715358
7-methoxy-N,1'-dimethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114710834
(4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104950848
(4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948786
(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)-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 96653094

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol?
The IUPAC name of 6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol (CID 114715390) is 6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol.
What is the SMILES notation for 6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol?
The canonical SMILES for 6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol is COc1ccc2c(c1)C(O)CC1(CCCN(C)CC1)O2.
What is the InChIKey of 6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol?
The InChIKey is MBCKRXGDOZAPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-17-8-3-6-16(7-9-17)11-14(18)13-10-12(19-2)4-5-15(13)20-16/h4-5,10,14,18H,3,6-9,11H2,1-2H3.
What are the key properties of 6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol?
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol has a molecular weight of 277.36 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol is sourced from PubChem (CID 114715390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).