3-(4-chloro-2,6-dimethylphenoxy)spiro[3.4]octan-1-ol

C16H21ClO2 — CID 66368940

IUPAC3-(4-chloro-2,6-dimethylphenoxy)spiro[3.4]octan-1-ol
SMILESCc1cc(Cl)cc(C)c1OC1CC(O)C12CCCC2
InChIInChI=1S/C16H21ClO2/c1-10-7-12(17)8-11(2)15(10)19-14-9-13(18)16(14)5-3-4-6-16/h7-8,13-14,18H,3-6,9H2,1-2H3
InChIKeyLTCQRDCWBGFMJA-UHFFFAOYSA-N
MW280.79 g/mol
LogP4.03
Rot. Bonds2

About 3-(4-chloro-2,6-dimethylphenoxy)spiro[3.4]octan-1-ol

3-(4-chloro-2,6-dimethylphenoxy)spiro[3.4]octan-1-ol (PubChem CID 66368940) has the molecular formula C16H21ClO2 and a molecular weight of 280.79 g/mol. Its IUPAC name is 3-(4-chloro-2,6-dimethylphenoxy)spiro[3.4]octan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-2,6-dimethylphenoxy)spiro[3.4]octan-1-ol
PubChem CID66368940
Molecular FormulaC16H21ClO2
Molecular Weight280.79 g/mol
Exact Mass280.12
IUPAC Name3-(4-chloro-2,6-dimethylphenoxy)spiro[3.4]octan-1-ol
SMILESCc1cc(Cl)cc(C)c1OC1CC(O)C12CCCC2
InChIInChI=1S/C16H21ClO2/c1-10-7-12(17)8-11(2)15(10)19-14-9-13(18)16(14)5-3-4-6-16/h7-8,13-14,18H,3-6,9H2,1-2H3
InChIKeyLTCQRDCWBGFMJA-UHFFFAOYSA-N
XLogP4.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.79
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-3-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367315
3-(3,5-dimethylphenoxy)spiro[3.4]octan-1-ol
CID 66366462
3-(2,4,6-triiodophenoxy)spiro[3.4]octan-1-ol
CID 66367119
3-(4-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367094
3-(2-fluoro-5-methylphenoxy)spiro[3.6]decan-1-ol
CID 66344599
3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol
CID 66367281
3-(4-chloro-2,6-dimethylphenoxy)-2,2-dimethylcyclobutan-1-amine
CID 66357748
3-(2-bromo-4-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367535
3-(5-bromo-2-chlorophenoxy)spiro[3.4]octan-1-ol
CID 66343757
3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol
CID 107662269
3-(3-methyl-4-nitrophenoxy)spiro[3.4]octan-1-ol
CID 66368711
3-(2-chloro-6-nitrophenoxy)spiro[3.4]octan-1-ol
CID 107719154

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,6-dimethylphenoxy)spiro[3.4]octan-1-ol?
The IUPAC name of 3-(4-chloro-2,6-dimethylphenoxy)spiro[3.4]octan-1-ol (CID 66368940) is 3-(4-chloro-2,6-dimethylphenoxy)spiro[3.4]octan-1-ol.
What is the SMILES notation for 3-(4-chloro-2,6-dimethylphenoxy)spiro[3.4]octan-1-ol?
The canonical SMILES for 3-(4-chloro-2,6-dimethylphenoxy)spiro[3.4]octan-1-ol is Cc1cc(Cl)cc(C)c1OC1CC(O)C12CCCC2.
What is the InChIKey of 3-(4-chloro-2,6-dimethylphenoxy)spiro[3.4]octan-1-ol?
The InChIKey is LTCQRDCWBGFMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO2/c1-10-7-12(17)8-11(2)15(10)19-14-9-13(18)16(14)5-3-4-6-16/h7-8,13-14,18H,3-6,9H2,1-2H3.
What are the key properties of 3-(4-chloro-2,6-dimethylphenoxy)spiro[3.4]octan-1-ol?
3-(4-chloro-2,6-dimethylphenoxy)spiro[3.4]octan-1-ol has a molecular weight of 280.79 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,6-dimethylphenoxy)spiro[3.4]octan-1-ol is sourced from PubChem (CID 66368940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).