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

C16H21ClO2 — CID 114714399

IUPAC6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCCC1CCC2(CC1)CC(O)c1cc(Cl)ccc1O2
InChIInChI=1S/C16H21ClO2/c1-2-11-5-7-16(8-6-11)10-14(18)13-9-12(17)3-4-15(13)19-16/h3-4,9,11,14,18H,2,5-8,10H2,1H3
InChIKeyUHYMZPZSEJVMME-UHFFFAOYSA-N
MW280.79 g/mol
LogP4.49
Rot. Bonds1

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

6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 114714399) has the molecular formula C16H21ClO2 and a molecular weight of 280.79 g/mol. Its IUPAC name is 6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID114714399
Molecular FormulaC16H21ClO2
Molecular Weight280.79 g/mol
Exact Mass280.12
IUPAC Name6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCCC1CCC2(CC1)CC(O)c1cc(Cl)ccc1O2
InChIInChI=1S/C16H21ClO2/c1-2-11-5-7-16(8-6-11)10-14(18)13-9-12(17)3-4-15(13)19-16/h3-4,9,11,14,18H,2,5-8,10H2,1H3
InChIKeyUHYMZPZSEJVMME-UHFFFAOYSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.79
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708951
6-chloro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-ol
CID 114714557
(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949252
6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 114715617
(4R)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949110
(4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104950848
6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114709018
(4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 104951385
(4S)-6-chloro-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825045
4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715684
(4S)-6-chloro-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107430709
(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949194

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of 6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 114714399) is 6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for 6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for 6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is CCC1CCC2(CC1)CC(O)c1cc(Cl)ccc1O2.
What is the InChIKey of 6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is UHYMZPZSEJVMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO2/c1-2-11-5-7-16(8-6-11)10-14(18)13-9-12(17)3-4-15(13)19-16/h3-4,9,11,14,18H,2,5-8,10H2,1H3.
What are the key properties of 6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 280.79 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-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 114714399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).