(3-methylphenoxy)cyclononane

C16H24O — CID 145391482

IUPAC(3-methylphenoxy)cyclononane
SMILESCc1cccc(OC2CCCCCCCC2)c1
InChIInChI=1S/C16H24O/c1-14-9-8-12-16(13-14)17-15-10-6-4-2-3-5-7-11-15/h8-9,12-13,15H,2-7,10-11H2,1H3
InChIKeyYXZBCABNKXFJMU-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.88
Rot. Bonds2

About (3-methylphenoxy)cyclononane

(3-methylphenoxy)cyclononane (PubChem CID 145391482) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (3-methylphenoxy)cyclononane.

Molecular Properties

Compound Name(3-methylphenoxy)cyclononane
PubChem CID145391482
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(3-methylphenoxy)cyclononane
SMILESCc1cccc(OC2CCCCCCCC2)c1
InChIInChI=1S/C16H24O/c1-14-9-8-12-16(13-14)17-15-10-6-4-2-3-5-7-11-15/h8-9,12-13,15H,2-7,10-11H2,1H3
InChIKeyYXZBCABNKXFJMU-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohex-2-en-1-yloxy-3-methylbenzene
CID 91516514
(3-ethylphenoxy)cyclooctane
CID 91220327
(3R)-3-(3-methylphenoxy)pyrrolidine
CID 24795651
3-(3-methylphenoxy)pyrrolidine
CID 18337170
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 115030262
magnesium;cyclohexyloxybenzene;hydride
CID 174438663
2-(3-methylphenoxy)oxirane
CID 89025102
(3-cyclopentyloxyphenyl)hydrazine
CID 55281400
(3-cyclopentyloxyphenoxy)-tri(propan-2-yl)silane
CID 67996793

Frequently Asked Questions

What is the IUPAC name of (3-methylphenoxy)cyclononane?
The IUPAC name of (3-methylphenoxy)cyclononane (CID 145391482) is (3-methylphenoxy)cyclononane.
What is the SMILES notation for (3-methylphenoxy)cyclononane?
The canonical SMILES for (3-methylphenoxy)cyclononane is Cc1cccc(OC2CCCCCCCC2)c1.
What is the InChIKey of (3-methylphenoxy)cyclononane?
The InChIKey is YXZBCABNKXFJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-14-9-8-12-16(13-14)17-15-10-6-4-2-3-5-7-11-15/h8-9,12-13,15H,2-7,10-11H2,1H3.
What are the key properties of (3-methylphenoxy)cyclononane?
(3-methylphenoxy)cyclononane has a molecular weight of 232.37 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenoxy)cyclononane is sourced from PubChem (CID 145391482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).