1-[4-[(2,3-difluorophenyl)methoxy]phenyl]propan-2-ol

C16H16F2O2 — CID 115495872

IUPAC1-[4-[(2,3-difluorophenyl)methoxy]phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(OCc2cccc(F)c2F)cc1
InChIInChI=1S/C16H16F2O2/c1-11(19)9-12-5-7-14(8-6-12)20-10-13-3-2-4-15(17)16(13)18/h2-8,11,19H,9-10H2,1H3
InChIKeyWRXIVSHCFZEMCH-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.47
Rot. Bonds5

About 1-[4-[(2,3-difluorophenyl)methoxy]phenyl]propan-2-ol

1-[4-[(2,3-difluorophenyl)methoxy]phenyl]propan-2-ol (PubChem CID 115495872) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-[4-[(2,3-difluorophenyl)methoxy]phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[(2,3-difluorophenyl)methoxy]phenyl]propan-2-ol
PubChem CID115495872
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name1-[4-[(2,3-difluorophenyl)methoxy]phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(OCc2cccc(F)c2F)cc1
InChIInChI=1S/C16H16F2O2/c1-11(19)9-12-5-7-14(8-6-12)20-10-13-3-2-4-15(17)16(13)18/h2-8,11,19H,9-10H2,1H3
InChIKeyWRXIVSHCFZEMCH-UHFFFAOYSA-N
XLogP3.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]propan-2-ol
CID 104792506
1-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-ol
CID 115496013
1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 102855814
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881
1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol
CID 115495740
3-[(2,3-difluorophenyl)methoxy]phenol
CID 43659030
1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol
CID 113323114
5-[(2,3-difluorophenyl)methoxy]-2-fluoropyridine
CID 115371725
1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol
CID 115496016
4-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658904
1-[4-(3-fluoropropoxy)phenyl]propan-2-ol
CID 115495812
1-[4-(phenylmethoxymethoxy)phenyl]propan-2-ol
CID 102939869

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,3-difluorophenyl)methoxy]phenyl]propan-2-ol?
The IUPAC name of 1-[4-[(2,3-difluorophenyl)methoxy]phenyl]propan-2-ol (CID 115495872) is 1-[4-[(2,3-difluorophenyl)methoxy]phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-[(2,3-difluorophenyl)methoxy]phenyl]propan-2-ol?
The canonical SMILES for 1-[4-[(2,3-difluorophenyl)methoxy]phenyl]propan-2-ol is CC(O)Cc1ccc(OCc2cccc(F)c2F)cc1.
What is the InChIKey of 1-[4-[(2,3-difluorophenyl)methoxy]phenyl]propan-2-ol?
The InChIKey is WRXIVSHCFZEMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-11(19)9-12-5-7-14(8-6-12)20-10-13-3-2-4-15(17)16(13)18/h2-8,11,19H,9-10H2,1H3.
What are the key properties of 1-[4-[(2,3-difluorophenyl)methoxy]phenyl]propan-2-ol?
1-[4-[(2,3-difluorophenyl)methoxy]phenyl]propan-2-ol has a molecular weight of 278.30 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,3-difluorophenyl)methoxy]phenyl]propan-2-ol is sourced from PubChem (CID 115495872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).