6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C16H21BrO2 — CID 114715465

IUPAC6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCCC1CCCCC12CC(O)c1cc(Br)ccc1O2
InChIInChI=1S/C16H21BrO2/c1-2-11-5-3-4-8-16(11)10-14(18)13-9-12(17)6-7-15(13)19-16/h6-7,9,11,14,18H,2-5,8,10H2,1H3
InChIKeyIRCBASKEIRKSRH-UHFFFAOYSA-N
MW325.25 g/mol
LogP4.60
Rot. Bonds1

About 6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 114715465) has the molecular formula C16H21BrO2 and a molecular weight of 325.25 g/mol. Its IUPAC name is 6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID114715465
Molecular FormulaC16H21BrO2
Molecular Weight325.25 g/mol
Exact Mass324.07
IUPAC Name6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCCC1CCCCC12CC(O)c1cc(Br)ccc1O2
InChIInChI=1S/C16H21BrO2/c1-2-11-5-3-4-8-16(11)10-14(18)13-9-12(17)6-7-15(13)19-16/h6-7,9,11,14,18H,2-5,8,10H2,1H3
InChIKeyIRCBASKEIRKSRH-UHFFFAOYSA-N
XLogP4.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714615
6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710059
2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114715432
(4R)-2'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951551
6-bromo-2'-ethyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713490
(4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 104951385
2'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114714363
6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 114715617
7-bromo-2'-ethylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 114673264
(4S)-6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol
CID 114080295
6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715550
6-bromo-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875135

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of 6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 114715465) is 6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for 6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for 6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is CCC1CCCCC12CC(O)c1cc(Br)ccc1O2.
What is the InChIKey of 6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is IRCBASKEIRKSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrO2/c1-2-11-5-3-4-8-16(11)10-14(18)13-9-12(17)6-7-15(13)19-16/h6-7,9,11,14,18H,2-5,8,10H2,1H3.
What are the key properties of 6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 325.25 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 114715465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).