6-chloro-3'-cyclopropylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C17H21ClO2 — CID 114714494

IUPAC6-chloro-3'-cyclopropylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESOC1CC2(CCCC(C3CC3)C2)Oc2ccc(Cl)cc21
InChIInChI=1S/C17H21ClO2/c18-13-5-6-16-14(8-13)15(19)10-17(20-16)7-1-2-12(9-17)11-3-4-11/h5-6,8,11-12,15,19H,1-4,7,9-10H2
InChIKeyCKWXFIMFDSJQMP-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.49
Rot. Bonds1

About 6-chloro-3'-cyclopropylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

6-chloro-3'-cyclopropylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 114714494) has the molecular formula C17H21ClO2 and a molecular weight of 292.81 g/mol. Its IUPAC name is 6-chloro-3'-cyclopropylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name6-chloro-3'-cyclopropylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID114714494
Molecular FormulaC17H21ClO2
Molecular Weight292.81 g/mol
Exact Mass292.12
IUPAC Name6-chloro-3'-cyclopropylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESOC1CC2(CCCC(C3CC3)C2)Oc2ccc(Cl)cc21
InChIInChI=1S/C17H21ClO2/c18-13-5-6-16-14(8-13)15(19)10-17(20-16)7-1-2-12(9-17)11-3-4-11/h5-6,8,11-12,15,19H,1-4,7,9-10H2
InChIKeyCKWXFIMFDSJQMP-UHFFFAOYSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949252
(4S)-6-chloro-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107430709
6-chloro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-ol
CID 114714557
(4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948992
(4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol
CID 104949137
6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714399
(4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol
CID 104948911
(4'R)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol
CID 104949139
(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949194
(4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948996
(4R)-6-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951521
(4S)-6-chloro-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825045

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3'-cyclopropylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of 6-chloro-3'-cyclopropylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 114714494) is 6-chloro-3'-cyclopropylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for 6-chloro-3'-cyclopropylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for 6-chloro-3'-cyclopropylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is OC1CC2(CCCC(C3CC3)C2)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-3'-cyclopropylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is CKWXFIMFDSJQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClO2/c18-13-5-6-16-14(8-13)15(19)10-17(20-16)7-1-2-12(9-17)11-3-4-11/h5-6,8,11-12,15,19H,1-4,7,9-10H2.
What are the key properties of 6-chloro-3'-cyclopropylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
6-chloro-3'-cyclopropylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 292.81 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3'-cyclopropylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 114714494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).