1-[4-(6-chloro-1H-indol-5-yl)phenyl]cyclobutan-1-ol

C18H16ClNO — CID 141367624

IUPAC1-[4-(6-chloro-1H-indol-5-yl)phenyl]cyclobutan-1-ol
SMILESOC1(c2ccc(-c3cc4cc[nH]c4cc3Cl)cc2)CCC1
InChIInChI=1S/C18H16ClNO/c19-16-11-17-13(6-9-20-17)10-15(16)12-2-4-14(5-3-12)18(21)7-1-8-18/h2-6,9-11,20-21H,1,7-8H2
InChIKeyXMTIGPTTWGCNIW-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.86
Rot. Bonds2

About 1-[4-(6-chloro-1H-indol-5-yl)phenyl]cyclobutan-1-ol

1-[4-(6-chloro-1H-indol-5-yl)phenyl]cyclobutan-1-ol (PubChem CID 141367624) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-[4-(6-chloro-1H-indol-5-yl)phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[4-(6-chloro-1H-indol-5-yl)phenyl]cyclobutan-1-ol
PubChem CID141367624
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name1-[4-(6-chloro-1H-indol-5-yl)phenyl]cyclobutan-1-ol
SMILESOC1(c2ccc(-c3cc4cc[nH]c4cc3Cl)cc2)CCC1
InChIInChI=1S/C18H16ClNO/c19-16-11-17-13(6-9-20-17)10-15(16)12-2-4-14(5-3-12)18(21)7-1-8-18/h2-6,9-11,20-21H,1,7-8H2
InChIKeyXMTIGPTTWGCNIW-UHFFFAOYSA-N
XLogP4.86
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[4-(6-chloro-1H-indol-5-yl)phenyl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-1H-indol-5-yl)phenyl]cyclobutan-1-ol?
The IUPAC name of 1-[4-(6-chloro-1H-indol-5-yl)phenyl]cyclobutan-1-ol (CID 141367624) is 1-[4-(6-chloro-1H-indol-5-yl)phenyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[4-(6-chloro-1H-indol-5-yl)phenyl]cyclobutan-1-ol?
The canonical SMILES for 1-[4-(6-chloro-1H-indol-5-yl)phenyl]cyclobutan-1-ol is OC1(c2ccc(-c3cc4cc[nH]c4cc3Cl)cc2)CCC1.
What is the InChIKey of 1-[4-(6-chloro-1H-indol-5-yl)phenyl]cyclobutan-1-ol?
The InChIKey is XMTIGPTTWGCNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c19-16-11-17-13(6-9-20-17)10-15(16)12-2-4-14(5-3-12)18(21)7-1-8-18/h2-6,9-11,20-21H,1,7-8H2.
What are the key properties of 1-[4-(6-chloro-1H-indol-5-yl)phenyl]cyclobutan-1-ol?
1-[4-(6-chloro-1H-indol-5-yl)phenyl]cyclobutan-1-ol has a molecular weight of 297.79 g/mol, XLogP of 4.86, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-1H-indol-5-yl)phenyl]cyclobutan-1-ol is sourced from PubChem (CID 141367624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).