(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol

C10H12F2O2 — CID 78930737

IUPAC(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OC(F)F
InChIInChI=1S/C10H12F2O2/c1-2-8(13)7-5-3-4-6-9(7)14-10(11)12/h3-6,8,10,13H,2H2,1H3/t8-/m0/s1
InChIKeyXWGHVEKADWTSLY-QMMMGPOBSA-N
MW202.20 g/mol
LogP2.73
Rot. Bonds4

About (1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol

(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol (PubChem CID 78930737) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is (1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
PubChem CID78930737
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OC(F)F
InChIInChI=1S/C10H12F2O2/c1-2-8(13)7-5-3-4-6-9(7)14-10(11)12/h3-6,8,10,13H,2H2,1H3/t8-/m0/s1
InChIKeyXWGHVEKADWTSLY-QMMMGPOBSA-N
XLogP2.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-3-methylbutan-1-ol
CID 63893645
(1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol
CID 171264497
1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
CID 83158841
1-[2-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
CID 63894999
1-[2-(difluoromethoxy)phenyl]-2-methylpropan-1-ol
CID 63894804
(1S)-1-[2-(difluoromethoxy)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171230995
1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol
CID 65150664
1-[2-(difluoromethoxy)phenyl]pent-4-yn-1-ol
CID 63894225
1-[2-(difluoromethoxy)phenyl]-2-(3-methylphenyl)ethanol
CID 63017552
(1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
CID 63365266
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
1-(2-cyclopentyloxyphenyl)propan-1-ol
CID 43503588

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol (CID 78930737) is (1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol is CC[C@H](O)c1ccccc1OC(F)F.
What is the InChIKey of (1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol?
The InChIKey is XWGHVEKADWTSLY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-2-8(13)7-5-3-4-6-9(7)14-10(11)12/h3-6,8,10,13H,2H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol?
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol has a molecular weight of 202.20 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 78930737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).