1-chloro-3-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one

C10H9ClF2O3 — CID 170836550

IUPAC1-chloro-3-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one
SMILESO=C(CCl)Cc1ccc(O)cc1OC(F)F
InChIInChI=1S/C10H9ClF2O3/c11-5-8(15)3-6-1-2-7(14)4-9(6)16-10(12)13/h1-2,4,10,14H,3,5H2
InChIKeyGTSOFTQOPWPNLF-UHFFFAOYSA-N
MW250.63 g/mol
LogP2.34
Rot. Bonds5

About 1-chloro-3-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one

1-chloro-3-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one (PubChem CID 170836550) has the molecular formula C10H9ClF2O3 and a molecular weight of 250.63 g/mol. Its IUPAC name is 1-chloro-3-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one.

Molecular Properties

Compound Name1-chloro-3-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one
PubChem CID170836550
Molecular FormulaC10H9ClF2O3
Molecular Weight250.63 g/mol
Exact Mass250.02
IUPAC Name1-chloro-3-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one
SMILESO=C(CCl)Cc1ccc(O)cc1OC(F)F
InChIInChI=1S/C10H9ClF2O3/c11-5-8(15)3-6-1-2-7(14)4-9(6)16-10(12)13/h1-2,4,10,14H,3,5H2
InChIKeyGTSOFTQOPWPNLF-UHFFFAOYSA-N
XLogP2.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.63
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[2-(difluoromethoxy)-4-hydroxyphenyl]propanal
CID 134621127
1-[5-(bromomethyl)-2-(difluoromethoxy)phenyl]-3-chloropropan-2-one
CID 166641260
1-chloro-3-[3-(difluoromethoxy)-2-sulfanylphenyl]propan-2-one
CID 170836749
1-bromo-3-[4-(chloromethyl)-3-(difluoromethoxy)phenyl]propan-2-one
CID 134624879
2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one
CID 134619501
1-chloro-3-[2-(difluoromethoxy)-3-sulfanylphenyl]propan-2-one
CID 170836598
2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid
CID 170998746
1-chloro-3-(4-iodo-2-methoxyphenyl)propan-2-one
CID 170836844
1-chloro-3-[5-(difluoromethyl)-2-iodophenyl]propan-2-one
CID 170836922
2-[4-(3-chloro-2-oxopropyl)-3-(difluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118812674
1-chloro-3-(2,5-difluorophenyl)propan-2-one
CID 131011955
1-chloro-3-[2-(difluoromethoxy)-3-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 170836532

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one?
The IUPAC name of 1-chloro-3-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one (CID 170836550) is 1-chloro-3-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one.
What is the SMILES notation for 1-chloro-3-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one?
The canonical SMILES for 1-chloro-3-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one is O=C(CCl)Cc1ccc(O)cc1OC(F)F.
What is the InChIKey of 1-chloro-3-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one?
The InChIKey is GTSOFTQOPWPNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O3/c11-5-8(15)3-6-1-2-7(14)4-9(6)16-10(12)13/h1-2,4,10,14H,3,5H2.
What are the key properties of 1-chloro-3-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one?
1-chloro-3-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one has a molecular weight of 250.63 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one is sourced from PubChem (CID 170836550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).