1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol

C11H12Cl2O2 — CID 106823902

IUPAC1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol
SMILESCOC1CC(O)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H12Cl2O2/c1-15-8-5-11(14,6-8)7-2-3-9(12)10(13)4-7/h2-4,8,14H,5-6H2,1H3
InChIKeySKTLFLGGGORURL-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.99
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol

1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol (PubChem CID 106823902) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol
PubChem CID106823902
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol
SMILESCOC1CC(O)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H12Cl2O2/c1-15-8-5-11(14,6-8)7-2-3-9(12)10(13)4-7/h2-4,8,14H,5-6H2,1H3
InChIKeySKTLFLGGGORURL-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol (CID 106823902) is 1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol is COC1CC(O)(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol?
The InChIKey is SKTLFLGGGORURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c1-15-8-5-11(14,6-8)7-2-3-9(12)10(13)4-7/h2-4,8,14H,5-6H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol?
1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol has a molecular weight of 247.12 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol is sourced from PubChem (CID 106823902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).