3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol

C11H13F3O2 — CID 61101293

IUPAC3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol
SMILESCOc1ccc(C(O)CC(F)(F)F)c(C)c1
InChIInChI=1S/C11H13F3O2/c1-7-5-8(16-2)3-4-9(7)10(15)6-11(12,13)14/h3-5,10,15H,6H2,1-2H3
InChIKeyOIUJFICERBPNQR-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.99
Rot. Bonds3

About 3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol

3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol (PubChem CID 61101293) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol
PubChem CID61101293
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol
SMILESCOc1ccc(C(O)CC(F)(F)F)c(C)c1
InChIInChI=1S/C11H13F3O2/c1-7-5-8(16-2)3-4-9(7)10(15)6-11(12,13)14/h3-5,10,15H,6H2,1-2H3
InChIKeyOIUJFICERBPNQR-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116
3-methoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 65313094
1-(4-methoxy-2-methylphenyl)octan-1-ol
CID 61101302
1-(4-methoxy-2-methylphenyl)-2-propoxyethanol
CID 65313194
3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 105083019
2-fluoro-2-(4-methoxy-2-methylphenyl)ethanol
CID 105426307
1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride
CID 171167300
3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 116504533
2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol
CID 164892247
1-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-4-methoxy-2-methylbenzene
CID 103310697
2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid
CID 170823897
3,3,3-trifluoro-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 61082565

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol (CID 61101293) is 3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol is COc1ccc(C(O)CC(F)(F)F)c(C)c1.
What is the InChIKey of 3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol?
The InChIKey is OIUJFICERBPNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-7-5-8(16-2)3-4-9(7)10(15)6-11(12,13)14/h3-5,10,15H,6H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol?
3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol has a molecular weight of 234.22 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 61101293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).