2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol

C10H12F2O2 — CID 84670502

IUPAC2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol
SMILESCOc1cc(F)c(F)cc1C(C)(C)O
InChIInChI=1S/C10H12F2O2/c1-10(2,13)6-4-7(11)8(12)5-9(6)14-3/h4-5,13H,1-3H3
InChIKeyZQUFIHJCHURPQZ-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.20
Rot. Bonds2

About 2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol

2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol (PubChem CID 84670502) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol
PubChem CID84670502
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol
SMILESCOc1cc(F)c(F)cc1C(C)(C)O
InChIInChI=1S/C10H12F2O2/c1-10(2,13)6-4-7(11)8(12)5-9(6)14-3/h4-5,13H,1-3H3
InChIKeyZQUFIHJCHURPQZ-UHFFFAOYSA-N
XLogP2.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol
CID 59095315
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane
CID 145081658
2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propan-2-ol
CID 117357817
2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol
CID 117357814
1-tert-butyl-5-fluoro-2,4-dimethoxybenzene
CID 148903890
2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol
CID 117113957
2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol
CID 117349561
1-tert-butyl-4-fluoro-2-methoxy-5-propan-2-ylbenzene
CID 59135063
2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol
CID 117353561
2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 84706691
2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane
CID 178095576

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol?
The IUPAC name of 2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol (CID 84670502) is 2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol is COc1cc(F)c(F)cc1C(C)(C)O.
What is the InChIKey of 2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol?
The InChIKey is ZQUFIHJCHURPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-10(2,13)6-4-7(11)8(12)5-9(6)14-3/h4-5,13H,1-3H3.
What are the key properties of 2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol?
2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol has a molecular weight of 202.20 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 84670502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).