3-octan-4-ylphenol

C14H22O — CID 54137408

IUPAC3-octan-4-ylphenol
SMILESCCCCC(CCC)c1cccc(O)c1
InChIInChI=1S/C14H22O/c1-3-5-8-12(7-4-2)13-9-6-10-14(15)11-13/h6,9-12,15H,3-5,7-8H2,1-2H3
InChIKeyCKOOWBPAJBNFRZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.47
Rot. Bonds6

About 3-octan-4-ylphenol

3-octan-4-ylphenol (PubChem CID 54137408) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-octan-4-ylphenol.

Molecular Properties

Compound Name3-octan-4-ylphenol
PubChem CID54137408
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name3-octan-4-ylphenol
SMILESCCCCC(CCC)c1cccc(O)c1
InChIInChI=1S/C14H22O/c1-3-5-8-12(7-4-2)13-9-6-10-14(15)11-13/h6,9-12,15H,3-5,7-8H2,1-2H3
InChIKeyCKOOWBPAJBNFRZ-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-fluorooctan-4-yl)phenol
CID 145284154
3-(1-aminoheptan-4-yl)phenol
CID 83930253
(3-octan-4-ylphenyl)methanamine
CID 142098371
3-pentadecan-2-ylphenol
CID 57199867
methyl 3-octan-4-ylbenzoate
CID 155299316
1-(difluoromethoxy)-3-octan-4-ylbenzene
CID 143471729
(3S)-3-(3-hydroxyphenyl)-2-methylheptanoic acid
CID 67428563
3-(3-hydroxyphenyl)-2-methylheptanoic acid
CID 77290397
10-phenyltetradecan-5-ylbenzene
CID 22891787
3-(dibutoxymethyl)phenol
CID 71333002
3-[1-(1-phenylpentylamino)ethyl]phenol
CID 43791599
3-[1-(dimethylamino)-2-methylpentyl]phenol
CID 123306996

Frequently Asked Questions

What is the IUPAC name of 3-octan-4-ylphenol?
The IUPAC name of 3-octan-4-ylphenol (CID 54137408) is 3-octan-4-ylphenol.
What is the SMILES notation for 3-octan-4-ylphenol?
The canonical SMILES for 3-octan-4-ylphenol is CCCCC(CCC)c1cccc(O)c1.
What is the InChIKey of 3-octan-4-ylphenol?
The InChIKey is CKOOWBPAJBNFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-3-5-8-12(7-4-2)13-9-6-10-14(15)11-13/h6,9-12,15H,3-5,7-8H2,1-2H3.
What are the key properties of 3-octan-4-ylphenol?
3-octan-4-ylphenol has a molecular weight of 206.33 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octan-4-ylphenol is sourced from PubChem (CID 54137408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).