3-(4-chloro-3-methylphenoxy)spiro[3.6]decan-1-ol

C17H23ClO2 — CID 66367315

IUPAC3-(4-chloro-3-methylphenoxy)spiro[3.6]decan-1-ol
SMILESCc1cc(OC2CC(O)C23CCCCCC3)ccc1Cl
InChIInChI=1S/C17H23ClO2/c1-12-10-13(6-7-14(12)18)20-16-11-15(19)17(16)8-4-2-3-5-9-17/h6-7,10,15-16,19H,2-5,8-9,11H2,1H3
InChIKeyHMZINYKVMKUDKO-UHFFFAOYSA-N
MW294.82 g/mol
LogP4.50
Rot. Bonds2

About 3-(4-chloro-3-methylphenoxy)spiro[3.6]decan-1-ol

3-(4-chloro-3-methylphenoxy)spiro[3.6]decan-1-ol (PubChem CID 66367315) has the molecular formula C17H23ClO2 and a molecular weight of 294.82 g/mol. Its IUPAC name is 3-(4-chloro-3-methylphenoxy)spiro[3.6]decan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-3-methylphenoxy)spiro[3.6]decan-1-ol
PubChem CID66367315
Molecular FormulaC17H23ClO2
Molecular Weight294.82 g/mol
Exact Mass294.14
IUPAC Name3-(4-chloro-3-methylphenoxy)spiro[3.6]decan-1-ol
SMILESCc1cc(OC2CC(O)C23CCCCCC3)ccc1Cl
InChIInChI=1S/C17H23ClO2/c1-12-10-13(6-7-14(12)18)20-16-11-15(19)17(16)8-4-2-3-5-9-17/h6-7,10,15-16,19H,2-5,8-9,11H2,1H3
InChIKeyHMZINYKVMKUDKO-UHFFFAOYSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.82
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367094
3-(3-methyl-4-nitrophenoxy)spiro[3.4]octan-1-ol
CID 66368711
3-(4-chloro-3-methylphenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66357801
3-(3,5-dimethylphenoxy)spiro[3.4]octan-1-ol
CID 66366462
3-(4-chloro-2,6-dimethylphenoxy)spiro[3.4]octan-1-ol
CID 66368940
3-(5-bromo-2-chlorophenoxy)spiro[3.4]octan-1-ol
CID 66343757
3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol
CID 66367281
3-bromo-1-(3,4-dichlorophenoxy)spiro[3.4]octane
CID 66345993
3-(2-bromo-4-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367535
3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol
CID 107662269
3-(3-bromo-5-fluorophenoxy)spiro[3.5]nonan-1-ol
CID 81326492
3-(4-nitrophenoxy)spiro[3.5]nonan-1-ol
CID 66366874

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylphenoxy)spiro[3.6]decan-1-ol?
The IUPAC name of 3-(4-chloro-3-methylphenoxy)spiro[3.6]decan-1-ol (CID 66367315) is 3-(4-chloro-3-methylphenoxy)spiro[3.6]decan-1-ol.
What is the SMILES notation for 3-(4-chloro-3-methylphenoxy)spiro[3.6]decan-1-ol?
The canonical SMILES for 3-(4-chloro-3-methylphenoxy)spiro[3.6]decan-1-ol is Cc1cc(OC2CC(O)C23CCCCCC3)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-methylphenoxy)spiro[3.6]decan-1-ol?
The InChIKey is HMZINYKVMKUDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClO2/c1-12-10-13(6-7-14(12)18)20-16-11-15(19)17(16)8-4-2-3-5-9-17/h6-7,10,15-16,19H,2-5,8-9,11H2,1H3.
What are the key properties of 3-(4-chloro-3-methylphenoxy)spiro[3.6]decan-1-ol?
3-(4-chloro-3-methylphenoxy)spiro[3.6]decan-1-ol has a molecular weight of 294.82 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylphenoxy)spiro[3.6]decan-1-ol is sourced from PubChem (CID 66367315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).