1-(2-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-ol

C14H18ClFO2 — CID 103560237

IUPAC1-(2-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-ol
SMILESCOC1(CC(O)Cc2cccc(F)c2Cl)CCC1
InChIInChI=1S/C14H18ClFO2/c1-18-14(6-3-7-14)9-11(17)8-10-4-2-5-12(16)13(10)15/h2,4-5,11,17H,3,6-9H2,1H3
InChIKeyNLDGTBHOSBBNTM-UHFFFAOYSA-N
MW272.75 g/mol
LogP3.34
Rot. Bonds5

About 1-(2-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-ol

1-(2-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-ol (PubChem CID 103560237) has the molecular formula C14H18ClFO2 and a molecular weight of 272.75 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-ol
PubChem CID103560237
Molecular FormulaC14H18ClFO2
Molecular Weight272.75 g/mol
Exact Mass272.10
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-ol
SMILESCOC1(CC(O)Cc2cccc(F)c2Cl)CCC1
InChIInChI=1S/C14H18ClFO2/c1-18-14(6-3-7-14)9-11(17)8-10-4-2-5-12(16)13(10)15/h2,4-5,11,17H,3,6-9H2,1H3
InChIKeyNLDGTBHOSBBNTM-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[2-(2-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine
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1-(2-chloro-3-fluorophenyl)-5-methoxypentan-2-ol
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2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
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1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
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1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-ol
CID 112653439
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-ol?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-ol (CID 103560237) is 1-(2-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-ol is COC1(CC(O)Cc2cccc(F)c2Cl)CCC1.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-ol?
The InChIKey is NLDGTBHOSBBNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO2/c1-18-14(6-3-7-14)9-11(17)8-10-4-2-5-12(16)13(10)15/h2,4-5,11,17H,3,6-9H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-ol?
1-(2-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-ol has a molecular weight of 272.75 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-ol is sourced from PubChem (CID 103560237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).