1-(2,3-difluorophenyl)-4-methoxypentan-1-ol

C12H16F2O2 — CID 105099608

IUPAC1-(2,3-difluorophenyl)-4-methoxypentan-1-ol
SMILESCOC(C)CCC(O)c1cccc(F)c1F
InChIInChI=1S/C12H16F2O2/c1-8(16-2)6-7-11(15)9-4-3-5-10(13)12(9)14/h3-5,8,11,15H,6-7H2,1-2H3
InChIKeyJFBDNCOBXDUGIE-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.81
Rot. Bonds5

About 1-(2,3-difluorophenyl)-4-methoxypentan-1-ol

1-(2,3-difluorophenyl)-4-methoxypentan-1-ol (PubChem CID 105099608) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-4-methoxypentan-1-ol.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-4-methoxypentan-1-ol
PubChem CID105099608
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name1-(2,3-difluorophenyl)-4-methoxypentan-1-ol
SMILESCOC(C)CCC(O)c1cccc(F)c1F
InChIInChI=1S/C12H16F2O2/c1-8(16-2)6-7-11(15)9-4-3-5-10(13)12(9)14/h3-5,8,11,15H,6-7H2,1-2H3
InChIKeyJFBDNCOBXDUGIE-UHFFFAOYSA-N
XLogP2.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-2-methoxypropan-1-ol
CID 79617746
4-methoxy-1-(2-propan-2-yloxyphenyl)pentan-1-ol
CID 105116940
1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol
CID 82808505
4-(2,3-difluorophenyl)-4-hydroxybutanoic acid
CID 63668220
3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol
CID 115810816
1,2-difluoro-3-(3-methoxybutoxy)benzene
CID 90941481
propyl 4-(2,3-difluorophenyl)-4-hydroxybutanoate
CID 63668218
4-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-ol
CID 105125505
1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105137730
3-(2,3-difluorophenyl)-3-hydroxypropanoate
CID 19770355
1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol
CID 105099638
1-(3-bromo-2-fluorophenyl)-4-methoxypentan-1-amine
CID 106647954

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-4-methoxypentan-1-ol?
The IUPAC name of 1-(2,3-difluorophenyl)-4-methoxypentan-1-ol (CID 105099608) is 1-(2,3-difluorophenyl)-4-methoxypentan-1-ol.
What is the SMILES notation for 1-(2,3-difluorophenyl)-4-methoxypentan-1-ol?
The canonical SMILES for 1-(2,3-difluorophenyl)-4-methoxypentan-1-ol is COC(C)CCC(O)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-4-methoxypentan-1-ol?
The InChIKey is JFBDNCOBXDUGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-8(16-2)6-7-11(15)9-4-3-5-10(13)12(9)14/h3-5,8,11,15H,6-7H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-4-methoxypentan-1-ol?
1-(2,3-difluorophenyl)-4-methoxypentan-1-ol has a molecular weight of 230.25 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-4-methoxypentan-1-ol is sourced from PubChem (CID 105099608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).