cyclooctyl-(3-propan-2-yloxyphenyl)methanol

C18H28O2 — CID 80604146

IUPACcyclooctyl-(3-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1cccc(C(O)C2CCCCCCC2)c1
InChIInChI=1S/C18H28O2/c1-14(2)20-17-12-8-11-16(13-17)18(19)15-9-6-4-3-5-7-10-15/h8,11-15,18-19H,3-7,9-10H2,1-2H3
InChIKeyOLPBQSWFUXILIQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.87
Rot. Bonds4

About cyclooctyl-(3-propan-2-yloxyphenyl)methanol

cyclooctyl-(3-propan-2-yloxyphenyl)methanol (PubChem CID 80604146) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is cyclooctyl-(3-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Namecyclooctyl-(3-propan-2-yloxyphenyl)methanol
PubChem CID80604146
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Namecyclooctyl-(3-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1cccc(C(O)C2CCCCCCC2)c1
InChIInChI=1S/C18H28O2/c1-14(2)20-17-12-8-11-16(13-17)18(19)15-9-6-4-3-5-7-10-15/h8,11-15,18-19H,3-7,9-10H2,1-2H3
InChIKeyOLPBQSWFUXILIQ-UHFFFAOYSA-N
XLogP4.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-propan-2-yloxyphenyl)-(thian-3-yl)methanol
CID 114283109
2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 110922419
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210573
cyclohexyl-[3-(dimethylamino)phenyl]methanol
CID 105100536
1-(3-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanol
CID 105117357
2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 111755622
(R)-cycloheptyl(phenyl)methanol
CID 94502427
3-methyl-1-(3-propan-2-yloxyphenyl)butane-1,2-diol
CID 103456619
2-(3-propan-2-yloxyphenyl)propanoic acid
CID 67024169
(R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine
CID 171206139
[2-cyclopropyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105254134

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-(3-propan-2-yloxyphenyl)methanol?
The IUPAC name of cyclooctyl-(3-propan-2-yloxyphenyl)methanol (CID 80604146) is cyclooctyl-(3-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for cyclooctyl-(3-propan-2-yloxyphenyl)methanol?
The canonical SMILES for cyclooctyl-(3-propan-2-yloxyphenyl)methanol is CC(C)Oc1cccc(C(O)C2CCCCCCC2)c1.
What is the InChIKey of cyclooctyl-(3-propan-2-yloxyphenyl)methanol?
The InChIKey is OLPBQSWFUXILIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-14(2)20-17-12-8-11-16(13-17)18(19)15-9-6-4-3-5-7-10-15/h8,11-15,18-19H,3-7,9-10H2,1-2H3.
What are the key properties of cyclooctyl-(3-propan-2-yloxyphenyl)methanol?
cyclooctyl-(3-propan-2-yloxyphenyl)methanol has a molecular weight of 276.42 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-(3-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 80604146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).