10-(2,3-dimethylphenoxy)cyclooctadecan-1-ol

C26H44O2 — CID 91093858

IUPAC10-(2,3-dimethylphenoxy)cyclooctadecan-1-ol
SMILESCc1cccc(OC2CCCCCCCCC(O)CCCCCCCC2)c1C
InChIInChI=1S/C26H44O2/c1-22-16-15-21-26(23(22)2)28-25-19-13-9-5-3-7-11-17-24(27)18-12-8-4-6-10-14-20-25/h15-16,21,24-25,27H,3-14,17-20H2,1-2H3
InChIKeyOJMMVCJBCNBHLH-UHFFFAOYSA-N
MW388.64 g/mol
LogP7.67
Rot. Bonds2

About 10-(2,3-dimethylphenoxy)cyclooctadecan-1-ol

10-(2,3-dimethylphenoxy)cyclooctadecan-1-ol (PubChem CID 91093858) has the molecular formula C26H44O2 and a molecular weight of 388.64 g/mol. Its IUPAC name is 10-(2,3-dimethylphenoxy)cyclooctadecan-1-ol.

Molecular Properties

Compound Name10-(2,3-dimethylphenoxy)cyclooctadecan-1-ol
PubChem CID91093858
Molecular FormulaC26H44O2
Molecular Weight388.64 g/mol
Exact Mass388.33
IUPAC Name10-(2,3-dimethylphenoxy)cyclooctadecan-1-ol
SMILESCc1cccc(OC2CCCCCCCCC(O)CCCCCCCC2)c1C
InChIInChI=1S/C26H44O2/c1-22-16-15-21-26(23(22)2)28-25-19-13-9-5-3-7-11-17-24(27)18-12-8-4-6-10-14-20-25/h15-16,21,24-25,27H,3-14,17-20H2,1-2H3
InChIKeyOJMMVCJBCNBHLH-UHFFFAOYSA-N
XLogP7.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(2,3-dimethylphenoxy)cyclohexan-1-one
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3-(2,3-dimethylphenoxy)cyclobutan-1-amine
CID 66358304
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CID 63474157
4-(2,3-dimethylphenoxy)-1-oxaspiro[5.5]undecane
CID 103432365
3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol
CID 66367281
3-(2,3-dimethylphenoxy)thiolane 1,1-dioxide
CID 83381393
(4S,5S)-5-(2,3-dimethylphenoxy)azepan-4-ol
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1-(2-cyclopentyloxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117438576

Frequently Asked Questions

What is the IUPAC name of 10-(2,3-dimethylphenoxy)cyclooctadecan-1-ol?
The IUPAC name of 10-(2,3-dimethylphenoxy)cyclooctadecan-1-ol (CID 91093858) is 10-(2,3-dimethylphenoxy)cyclooctadecan-1-ol.
What is the SMILES notation for 10-(2,3-dimethylphenoxy)cyclooctadecan-1-ol?
The canonical SMILES for 10-(2,3-dimethylphenoxy)cyclooctadecan-1-ol is Cc1cccc(OC2CCCCCCCCC(O)CCCCCCCC2)c1C.
What is the InChIKey of 10-(2,3-dimethylphenoxy)cyclooctadecan-1-ol?
The InChIKey is OJMMVCJBCNBHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44O2/c1-22-16-15-21-26(23(22)2)28-25-19-13-9-5-3-7-11-17-24(27)18-12-8-4-6-10-14-20-25/h15-16,21,24-25,27H,3-14,17-20H2,1-2H3.
What are the key properties of 10-(2,3-dimethylphenoxy)cyclooctadecan-1-ol?
10-(2,3-dimethylphenoxy)cyclooctadecan-1-ol has a molecular weight of 388.64 g/mol, XLogP of 7.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,3-dimethylphenoxy)cyclooctadecan-1-ol is sourced from PubChem (CID 91093858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).