1-(3,5-difluorophenyl)-3-methoxypropan-1-ol

C10H12F2O2 — CID 62606172

IUPAC1-(3,5-difluorophenyl)-3-methoxypropan-1-ol
SMILESCOCCC(O)c1cc(F)cc(F)c1
InChIInChI=1S/C10H12F2O2/c1-14-3-2-10(13)7-4-8(11)6-9(12)5-7/h4-6,10,13H,2-3H2,1H3
InChIKeyQGQBEMDWXYVOKQ-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.03
Rot. Bonds4

About 1-(3,5-difluorophenyl)-3-methoxypropan-1-ol

1-(3,5-difluorophenyl)-3-methoxypropan-1-ol (PubChem CID 62606172) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-methoxypropan-1-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-methoxypropan-1-ol
PubChem CID62606172
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name1-(3,5-difluorophenyl)-3-methoxypropan-1-ol
SMILESCOCCC(O)c1cc(F)cc(F)c1
InChIInChI=1S/C10H12F2O2/c1-14-3-2-10(13)7-4-8(11)6-9(12)5-7/h4-6,10,13H,2-3H2,1H3
InChIKeyQGQBEMDWXYVOKQ-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-2-methoxyethanol
CID 62791322
1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol
CID 105093291
1-(3,5-difluorophenyl)hexan-1-ol
CID 62608438
(1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol
CID 146430638
3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol
CID 62607398
1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol
CID 105394437
methyl 3-(3,5-difluorophenyl)-3-hydroxypropanoate
CID 19770417
3-methoxy-1-(5-methylthiophen-3-yl)propan-1-ol
CID 65099648
1-(3,5-difluorophenyl)-4-ethylsulfonylbutan-1-ol
CID 65095439
(1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine
CID 55272435
1-(3,5-difluorophenyl)-5-methoxypentan-2-ol
CID 115601584
1-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol
CID 105093256

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-methoxypropan-1-ol?
The IUPAC name of 1-(3,5-difluorophenyl)-3-methoxypropan-1-ol (CID 62606172) is 1-(3,5-difluorophenyl)-3-methoxypropan-1-ol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-methoxypropan-1-ol?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-methoxypropan-1-ol is COCCC(O)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-methoxypropan-1-ol?
The InChIKey is QGQBEMDWXYVOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-14-3-2-10(13)7-4-8(11)6-9(12)5-7/h4-6,10,13H,2-3H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-methoxypropan-1-ol?
1-(3,5-difluorophenyl)-3-methoxypropan-1-ol has a molecular weight of 202.20 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-methoxypropan-1-ol is sourced from PubChem (CID 62606172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).