5-dodecoxy-2-(trifluoromethyl)phenol

C19H29F3O2 — CID 169297983

IUPAC5-dodecoxy-2-(trifluoromethyl)phenol
SMILESCCCCCCCCCCCCOc1ccc(C(F)(F)F)c(O)c1
InChIInChI=1S/C19H29F3O2/c1-2-3-4-5-6-7-8-9-10-11-14-24-16-12-13-17(18(23)15-16)19(20,21)22/h12-13,15,23H,2-11,14H2,1H3
InChIKeyDSXZBVTZGJAUNT-UHFFFAOYSA-N
MW346.43 g/mol
LogP6.71
Rot. Bonds12

About 5-dodecoxy-2-(trifluoromethyl)phenol

5-dodecoxy-2-(trifluoromethyl)phenol (PubChem CID 169297983) has the molecular formula C19H29F3O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-dodecoxy-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name5-dodecoxy-2-(trifluoromethyl)phenol
PubChem CID169297983
Molecular FormulaC19H29F3O2
Molecular Weight346.43 g/mol
Exact Mass346.21
IUPAC Name5-dodecoxy-2-(trifluoromethyl)phenol
SMILESCCCCCCCCCCCCOc1ccc(C(F)(F)F)c(O)c1
InChIInChI=1S/C19H29F3O2/c1-2-3-4-5-6-7-8-9-10-11-14-24-16-12-13-17(18(23)15-16)19(20,21)22/h12-13,15,23H,2-11,14H2,1H3
InChIKeyDSXZBVTZGJAUNT-UHFFFAOYSA-N
XLogP6.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 56.71
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

4-hexoxybenzene-1,2-diol
CID 23459322
[4-octoxy-2-(trifluoromethyl)phenyl]methanamine
CID 43320906
2-tert-butyl-4-tetradecoxyphenol
CID 19014137
1-octoxy-4-(4-octoxyphenyl)-2-(trifluoromethyl)benzene
CID 139992979
4-octadecoxyphenol
CID 22179059
[4-decoxy-2-(trifluoromethyl)phenyl]-(trifluoromethylsulfonyl)azanide
CID 168826389
4-hexoxy-2-hydroxybenzaldehyde
CID 13147236
[2,4-di(undecoxy)phenyl]-(2-hydroxy-4-undecoxyphenyl)methanone
CID 20743749
3-dodecoxyphenol
CID 15719132
2-butyl-4-dodecoxyphenol
CID 70607238
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659

Frequently Asked Questions

What is the IUPAC name of 5-dodecoxy-2-(trifluoromethyl)phenol?
The IUPAC name of 5-dodecoxy-2-(trifluoromethyl)phenol (CID 169297983) is 5-dodecoxy-2-(trifluoromethyl)phenol.
What is the SMILES notation for 5-dodecoxy-2-(trifluoromethyl)phenol?
The canonical SMILES for 5-dodecoxy-2-(trifluoromethyl)phenol is CCCCCCCCCCCCOc1ccc(C(F)(F)F)c(O)c1.
What is the InChIKey of 5-dodecoxy-2-(trifluoromethyl)phenol?
The InChIKey is DSXZBVTZGJAUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3O2/c1-2-3-4-5-6-7-8-9-10-11-14-24-16-12-13-17(18(23)15-16)19(20,21)22/h12-13,15,23H,2-11,14H2,1H3.
What are the key properties of 5-dodecoxy-2-(trifluoromethyl)phenol?
5-dodecoxy-2-(trifluoromethyl)phenol has a molecular weight of 346.43 g/mol, XLogP of 6.71, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecoxy-2-(trifluoromethyl)phenol is sourced from PubChem (CID 169297983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).