1-(4-butan-2-ylphenoxy)decan-2-ol

C20H34O2 — CID 23396711

IUPAC1-(4-butan-2-ylphenoxy)decan-2-ol
SMILESCCCCCCCCC(O)COc1ccc(C(C)CC)cc1
InChIInChI=1S/C20H34O2/c1-4-6-7-8-9-10-11-19(21)16-22-20-14-12-18(13-15-20)17(3)5-2/h12-15,17,19,21H,4-11,16H2,1-3H3
InChIKeyWOOHBXXWBSQJLY-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.69
Rot. Bonds12

About 1-(4-butan-2-ylphenoxy)decan-2-ol

1-(4-butan-2-ylphenoxy)decan-2-ol (PubChem CID 23396711) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenoxy)decan-2-ol.

Molecular Properties

Compound Name1-(4-butan-2-ylphenoxy)decan-2-ol
PubChem CID23396711
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name1-(4-butan-2-ylphenoxy)decan-2-ol
SMILESCCCCCCCCC(O)COc1ccc(C(C)CC)cc1
InChIInChI=1S/C20H34O2/c1-4-6-7-8-9-10-11-19(21)16-22-20-14-12-18(13-15-20)17(3)5-2/h12-15,17,19,21H,4-11,16H2,1-3H3
InChIKeyWOOHBXXWBSQJLY-UHFFFAOYSA-N
XLogP5.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenoxy)tetradecan-2-ol
CID 59993706
1-phenoxytetradecan-2-ol
CID 11609222
1-phenoxyheptan-2-ol
CID 12731443
[4-(2-hydroxytetradecoxy)phenyl]-(4-methylphenyl)iodanium
CID 16689390
1-(4-butan-2-ylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 107664435
4-[(2R)-2-hydroxyhexoxy]benzonitrile
CID 139777729
[3-[4-[3-[dimethyl(tetradecyl)azaniumyl]-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]-dimethyl-tetradecylazanium
CID 175684911
1-[4-(5-dodecylpyrimidin-2-yl)phenoxy]heptan-2-ol
CID 19105692
4-(2-hydroxyhexoxy)benzaldehyde
CID 87847240
1-(3-chlorophenoxy)undecan-2-ol
CID 105084879
2-[4-(2-methylundecoxy)phenyl]propanoic acid
CID 58795117
[3-(4-butan-2-ylphenoxy)-2-hydroxypropyl] prop-2-enoate
CID 23517808

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenoxy)decan-2-ol?
The IUPAC name of 1-(4-butan-2-ylphenoxy)decan-2-ol (CID 23396711) is 1-(4-butan-2-ylphenoxy)decan-2-ol.
What is the SMILES notation for 1-(4-butan-2-ylphenoxy)decan-2-ol?
The canonical SMILES for 1-(4-butan-2-ylphenoxy)decan-2-ol is CCCCCCCCC(O)COc1ccc(C(C)CC)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenoxy)decan-2-ol?
The InChIKey is WOOHBXXWBSQJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-4-6-7-8-9-10-11-19(21)16-22-20-14-12-18(13-15-20)17(3)5-2/h12-15,17,19,21H,4-11,16H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylphenoxy)decan-2-ol?
1-(4-butan-2-ylphenoxy)decan-2-ol has a molecular weight of 306.49 g/mol, XLogP of 5.69, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenoxy)decan-2-ol is sourced from PubChem (CID 23396711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).