3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol

C11H12ClF3O2 — CID 117425053

IUPAC3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol
SMILESCOc1c(Cl)cc(CCCO)cc1C(F)(F)F
InChIInChI=1S/C11H12ClF3O2/c1-17-10-8(11(13,14)15)5-7(3-2-4-16)6-9(10)12/h5-6,16H,2-4H2,1H3
InChIKeySDPPNXHOEZUXCX-UHFFFAOYSA-N
MW268.66 g/mol
LogP3.29
Rot. Bonds4

About 3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol

3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 117425053) has the molecular formula C11H12ClF3O2 and a molecular weight of 268.66 g/mol. Its IUPAC name is 3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID117425053
Molecular FormulaC11H12ClF3O2
Molecular Weight268.66 g/mol
Exact Mass268.05
IUPAC Name3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol
SMILESCOc1c(Cl)cc(CCCO)cc1C(F)(F)F
InChIInChI=1S/C11H12ClF3O2/c1-17-10-8(11(13,14)15)5-7(3-2-4-16)6-9(10)12/h5-6,16H,2-4H2,1H3
InChIKeySDPPNXHOEZUXCX-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 117422639
3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol
CID 117329608
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol
CID 117378332
2-amino-3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propanoic acid
CID 117479208
3-chloro-4-methoxy-5-(trifluoromethyl)aniline
CID 131188893
3-chloro-4-methoxy-5-(trifluoromethyl)benzoic acid
CID 67041821
3-(3,5-dichloro-4-fluorophenyl)propan-1-ol
CID 117318967
3-(3-chloro-5-methoxyphenyl)propan-1-ol
CID 117289609
2-[2-(3,5-dichloro-4-methoxyphenyl)ethyl]propane-1,3-diol
CID 83928638
3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol
CID 117345741
2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol
CID 117481446
[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanol
CID 171003011

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol (CID 117425053) is 3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol is COc1c(Cl)cc(CCCO)cc1C(F)(F)F.
What is the InChIKey of 3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is SDPPNXHOEZUXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3O2/c1-17-10-8(11(13,14)15)5-7(3-2-4-16)6-9(10)12/h5-6,16H,2-4H2,1H3.
What are the key properties of 3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol?
3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 268.66 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 117425053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).