1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol

C10H12F2O2 — CID 102581302

IUPAC1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol
SMILESCOc1cccc(C(O)(CF)CF)c1
InChIInChI=1S/C10H12F2O2/c1-14-9-4-2-3-8(5-9)10(13,6-11)7-12/h2-5,13H,6-7H2,1H3
InChIKeyOJEUTEFNHPMBQA-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.82
Rot. Bonds4

About 1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol

1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol (PubChem CID 102581302) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol
PubChem CID102581302
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol
SMILESCOc1cccc(C(O)(CF)CF)c1
InChIInChI=1S/C10H12F2O2/c1-14-9-4-2-3-8(5-9)10(13,6-11)7-12/h2-5,13H,6-7H2,1H3
InChIKeyOJEUTEFNHPMBQA-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
1-bromo-2-(3-methoxyphenyl)-3-trimethylsilylpropan-2-ol
CID 19086821
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
3-(3-methoxyphenyl)-1-(methylamino)hexan-3-ol
CID 23459532
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene
CID 91442545
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
CID 176900068
bis(3-methoxyphenyl)-(4-methylphenyl)methanol
CID 2758428

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol?
The IUPAC name of 1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol (CID 102581302) is 1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol is COc1cccc(C(O)(CF)CF)c1.
What is the InChIKey of 1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol?
The InChIKey is OJEUTEFNHPMBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-14-9-4-2-3-8(5-9)10(13,6-11)7-12/h2-5,13H,6-7H2,1H3.
What are the key properties of 1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol?
1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol has a molecular weight of 202.20 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 102581302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).