[1-(4-chloroanilino)-3-methoxycyclobutyl]methanol

C12H16ClNO2 — CID 106824002

IUPAC[1-(4-chloroanilino)-3-methoxycyclobutyl]methanol
SMILESCOC1CC(CO)(Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO2/c1-16-11-6-12(7-11,8-15)14-10-4-2-9(13)3-5-10/h2-5,11,14-15H,6-8H2,1H3
InChIKeyWQQRSNHJIIVZRN-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.29
Rot. Bonds4

About [1-(4-chloroanilino)-3-methoxycyclobutyl]methanol

[1-(4-chloroanilino)-3-methoxycyclobutyl]methanol (PubChem CID 106824002) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is [1-(4-chloroanilino)-3-methoxycyclobutyl]methanol.

Molecular Properties

Compound Name[1-(4-chloroanilino)-3-methoxycyclobutyl]methanol
PubChem CID106824002
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name[1-(4-chloroanilino)-3-methoxycyclobutyl]methanol
SMILESCOC1CC(CO)(Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO2/c1-16-11-6-12(7-11,8-15)14-10-4-2-9(13)3-5-10/h2-5,11,14-15H,6-8H2,1H3
InChIKeyWQQRSNHJIIVZRN-UHFFFAOYSA-N
XLogP2.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chloroanilino)-3-methoxycyclobutyl]methanol?
The IUPAC name of [1-(4-chloroanilino)-3-methoxycyclobutyl]methanol (CID 106824002) is [1-(4-chloroanilino)-3-methoxycyclobutyl]methanol.
What is the SMILES notation for [1-(4-chloroanilino)-3-methoxycyclobutyl]methanol?
The canonical SMILES for [1-(4-chloroanilino)-3-methoxycyclobutyl]methanol is COC1CC(CO)(Nc2ccc(Cl)cc2)C1.
What is the InChIKey of [1-(4-chloroanilino)-3-methoxycyclobutyl]methanol?
The InChIKey is WQQRSNHJIIVZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-16-11-6-12(7-11,8-15)14-10-4-2-9(13)3-5-10/h2-5,11,14-15H,6-8H2,1H3.
What are the key properties of [1-(4-chloroanilino)-3-methoxycyclobutyl]methanol?
[1-(4-chloroanilino)-3-methoxycyclobutyl]methanol has a molecular weight of 241.72 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloroanilino)-3-methoxycyclobutyl]methanol is sourced from PubChem (CID 106824002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).