2-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]propan-2-ol

C11H13ClF2O2 — CID 117380036

IUPAC2-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1c(Cl)cc(C(C)(C)O)c(F)c1F
InChIInChI=1S/C11H13ClF2O2/c1-11(2,15)7-4-8(12)6(5-16-3)9(13)10(7)14/h4,15H,5H2,1-3H3
InChIKeyNXOGXRBPOXANKC-UHFFFAOYSA-N
MW250.67 g/mol
LogP2.99
Rot. Bonds3

About 2-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]propan-2-ol

2-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]propan-2-ol (PubChem CID 117380036) has the molecular formula C11H13ClF2O2 and a molecular weight of 250.67 g/mol. Its IUPAC name is 2-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]propan-2-ol
PubChem CID117380036
Molecular FormulaC11H13ClF2O2
Molecular Weight250.67 g/mol
Exact Mass250.06
IUPAC Name2-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1c(Cl)cc(C(C)(C)O)c(F)c1F
InChIInChI=1S/C11H13ClF2O2/c1-11(2,15)7-4-8(12)6(5-16-3)9(13)10(7)14/h4,15H,5H2,1-3H3
InChIKeyNXOGXRBPOXANKC-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.67
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117337279
2-[3,5-dichloro-4-(methoxymethyl)phenyl]propan-2-ol
CID 540635
[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]methanol
CID 117318845
2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol
CID 84684226
3-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]-2-methylpropanoic acid
CID 117446921
2-(5-bromo-2,4-difluoro-3-methoxyphenyl)propan-2-ol
CID 84715079
2-(5-bromo-2,3-difluoro-4-methoxyphenyl)propan-2-ol
CID 84715078
[4-chloro-2-fluoro-3-(methoxymethyl)phenyl]boronic acid
CID 164890773
2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 84706691
[1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117468012
2-(2,5-dichloro-4-methoxyphenyl)propan-2-ol
CID 84698274
N-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117313592

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]propan-2-ol?
The IUPAC name of 2-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]propan-2-ol (CID 117380036) is 2-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]propan-2-ol?
The canonical SMILES for 2-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]propan-2-ol is COCc1c(Cl)cc(C(C)(C)O)c(F)c1F.
What is the InChIKey of 2-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]propan-2-ol?
The InChIKey is NXOGXRBPOXANKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2O2/c1-11(2,15)7-4-8(12)6(5-16-3)9(13)10(7)14/h4,15H,5H2,1-3H3.
What are the key properties of 2-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]propan-2-ol?
2-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]propan-2-ol has a molecular weight of 250.67 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117380036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).