1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol

C12H16ClFO3 — CID 114275160

IUPAC1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol
SMILESCOCCOCCC(O)c1c(F)cccc1Cl
InChIInChI=1S/C12H16ClFO3/c1-16-7-8-17-6-5-11(15)12-9(13)3-2-4-10(12)14/h2-4,11,15H,5-8H2,1H3
InChIKeyTXMFLMFIUQMATP-UHFFFAOYSA-N
MW262.71 g/mol
LogP2.57
Rot. Bonds7

About 1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol

1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol (PubChem CID 114275160) has the molecular formula C12H16ClFO3 and a molecular weight of 262.71 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol
PubChem CID114275160
Molecular FormulaC12H16ClFO3
Molecular Weight262.71 g/mol
Exact Mass262.08
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol
SMILESCOCCOCCC(O)c1c(F)cccc1Cl
InChIInChI=1S/C12H16ClFO3/c1-16-7-8-17-6-5-11(15)12-9(13)3-2-4-10(12)14/h2-4,11,15H,5-8H2,1H3
InChIKeyTXMFLMFIUQMATP-UHFFFAOYSA-N
XLogP2.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62774538
1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927602
1-(2-chloro-6-fluorophenyl)-2-propoxyethanol
CID 79567112
1-(2,6-difluorophenyl)-2-(2-methoxyethoxyamino)ethanol
CID 82722763
1-(2-chloro-6-fluorophenyl)-4-methylsulfonylbutan-1-ol
CID 65150848
(3S)-3-(2-chloro-6-fluorophenyl)-3-hydroxypropanoic acid
CID 94425333
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine
CID 105044732
1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol
CID 65186284
1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928630
1-(2-chloro-6-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016942
1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol
CID 64603633
1-(4-chloro-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-ol
CID 114012678

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol (CID 114275160) is 1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol is COCCOCCC(O)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol?
The InChIKey is TXMFLMFIUQMATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO3/c1-16-7-8-17-6-5-11(15)12-9(13)3-2-4-10(12)14/h2-4,11,15H,5-8H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol?
1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol has a molecular weight of 262.71 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol is sourced from PubChem (CID 114275160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).