1-(3-chloro-2,6-difluoro-5-methylphenyl)propan-2-ol

C10H11ClF2O — CID 117315026

IUPAC1-(3-chloro-2,6-difluoro-5-methylphenyl)propan-2-ol
SMILESCc1cc(Cl)c(F)c(CC(C)O)c1F
InChIInChI=1S/C10H11ClF2O/c1-5-3-8(11)10(13)7(9(5)12)4-6(2)14/h3,6,14H,4H2,1-2H3
InChIKeyODBHBGWFBSSOAZ-UHFFFAOYSA-N
MW220.65 g/mol
LogP2.85
Rot. Bonds2

About 1-(3-chloro-2,6-difluoro-5-methylphenyl)propan-2-ol

1-(3-chloro-2,6-difluoro-5-methylphenyl)propan-2-ol (PubChem CID 117315026) has the molecular formula C10H11ClF2O and a molecular weight of 220.65 g/mol. Its IUPAC name is 1-(3-chloro-2,6-difluoro-5-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-2,6-difluoro-5-methylphenyl)propan-2-ol
PubChem CID117315026
Molecular FormulaC10H11ClF2O
Molecular Weight220.65 g/mol
Exact Mass220.05
IUPAC Name1-(3-chloro-2,6-difluoro-5-methylphenyl)propan-2-ol
SMILESCc1cc(Cl)c(F)c(CC(C)O)c1F
InChIInChI=1S/C10H11ClF2O/c1-5-3-8(11)10(13)7(9(5)12)4-6(2)14/h3,6,14H,4H2,1-2H3
InChIKeyODBHBGWFBSSOAZ-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.65
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(6-chloro-2,3-dimethylphenyl)propan-2-ol
CID 117288115
1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol
CID 117291204
1-[(3-chloro-2,6-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine
CID 117335411
3-(3-chloro-2,5,6-trifluorophenyl)-2-methylpropanoic acid
CID 117384557
1-(3-chloro-4-fluoro-5-methoxyphenyl)propan-2-ol
CID 117311647
6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol
CID 117318846
5-chloro-3-(2-hydroxypropyl)-4-methylbenzene-1,2-diol
CID 117308659
2-amino-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol
CID 84671959
4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol
CID 117341360
3-(3-chloro-2,6-difluoro-5-methylphenyl)butan-1-amine
CID 117339667
2,4-difluoro-3-(2-hydroxypropyl)-5-methoxyphenol
CID 117310551
4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol
CID 117293006

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,6-difluoro-5-methylphenyl)propan-2-ol?
The IUPAC name of 1-(3-chloro-2,6-difluoro-5-methylphenyl)propan-2-ol (CID 117315026) is 1-(3-chloro-2,6-difluoro-5-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-2,6-difluoro-5-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(3-chloro-2,6-difluoro-5-methylphenyl)propan-2-ol is Cc1cc(Cl)c(F)c(CC(C)O)c1F.
What is the InChIKey of 1-(3-chloro-2,6-difluoro-5-methylphenyl)propan-2-ol?
The InChIKey is ODBHBGWFBSSOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O/c1-5-3-8(11)10(13)7(9(5)12)4-6(2)14/h3,6,14H,4H2,1-2H3.
What are the key properties of 1-(3-chloro-2,6-difluoro-5-methylphenyl)propan-2-ol?
1-(3-chloro-2,6-difluoro-5-methylphenyl)propan-2-ol has a molecular weight of 220.65 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,6-difluoro-5-methylphenyl)propan-2-ol is sourced from PubChem (CID 117315026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).