3-(2,4-difluoro-3-methylphenyl)propan-1-ol

C10H12F2O — CID 66733705

IUPAC3-(2,4-difluoro-3-methylphenyl)propan-1-ol
SMILESCc1c(F)ccc(CCCO)c1F
InChIInChI=1S/C10H12F2O/c1-7-9(11)5-4-8(10(7)12)3-2-6-13/h4-5,13H,2-3,6H2,1H3
InChIKeyOEDLQOWFMHCPJK-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.20
Rot. Bonds3

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

3-(2,4-difluoro-3-methylphenyl)propan-1-ol (PubChem CID 66733705) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 3-(2,4-difluoro-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,4-difluoro-3-methylphenyl)propan-1-ol
PubChem CID66733705
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name3-(2,4-difluoro-3-methylphenyl)propan-1-ol
SMILESCc1c(F)ccc(CCCO)c1F
InChIInChI=1S/C10H12F2O/c1-7-9(11)5-4-8(10(7)12)3-2-6-13/h4-5,13H,2-3,6H2,1H3
InChIKeyOEDLQOWFMHCPJK-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoro-3-methylphenyl)propan-1-ol?
The IUPAC name of 3-(2,4-difluoro-3-methylphenyl)propan-1-ol (CID 66733705) is 3-(2,4-difluoro-3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2,4-difluoro-3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(2,4-difluoro-3-methylphenyl)propan-1-ol is Cc1c(F)ccc(CCCO)c1F.
What is the InChIKey of 3-(2,4-difluoro-3-methylphenyl)propan-1-ol?
The InChIKey is OEDLQOWFMHCPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-7-9(11)5-4-8(10(7)12)3-2-6-13/h4-5,13H,2-3,6H2,1H3.
What are the key properties of 3-(2,4-difluoro-3-methylphenyl)propan-1-ol?
3-(2,4-difluoro-3-methylphenyl)propan-1-ol has a molecular weight of 186.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoro-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 66733705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).