(4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol

C17H24ClNO2 — CID 104948996

IUPAC(4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
SMILESCCCN1CCCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2
InChIInChI=1S/C17H24ClNO2/c1-2-8-19-9-3-6-17(7-10-19)12-15(20)14-11-13(18)4-5-16(14)21-17/h4-5,11,15,20H,2-3,6-10,12H2,1H3/t15-,17?/m0/s1
InChIKeyUFXWTVZRDRMELN-MYJWUSKBSA-N
MW309.84 g/mol
LogP3.79
Rot. Bonds2

About (4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol

(4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol (PubChem CID 104948996) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is (4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol.

Molecular Properties

Compound Name(4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
PubChem CID104948996
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name(4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
SMILESCCCN1CCCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2
InChIInChI=1S/C17H24ClNO2/c1-2-8-19-9-3-6-17(7-10-19)12-15(20)14-11-13(18)4-5-16(14)21-17/h4-5,11,15,20H,2-3,6-10,12H2,1H3/t15-,17?/m0/s1
InChIKeyUFXWTVZRDRMELN-MYJWUSKBSA-N
XLogP3.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol with MolForge

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Related Compounds

(4R)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949110
(4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948992
1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 114714975
(4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104950732
(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949252
(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949194
(4R)-7-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949332
6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714399
6-chloro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-ol
CID 114714557
6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114710193
(4S)-6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol
CID 104948879
1'-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 16677569

Frequently Asked Questions

What is the IUPAC name of (4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol?
The IUPAC name of (4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol (CID 104948996) is (4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol.
What is the SMILES notation for (4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol?
The canonical SMILES for (4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol is CCCN1CCCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2.
What is the InChIKey of (4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol?
The InChIKey is UFXWTVZRDRMELN-MYJWUSKBSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-2-8-19-9-3-6-17(7-10-19)12-15(20)14-11-13(18)4-5-16(14)21-17/h4-5,11,15,20H,2-3,6-10,12H2,1H3/t15-,17?/m0/s1.
What are the key properties of (4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol?
(4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol has a molecular weight of 309.84 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol is sourced from PubChem (CID 104948996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).