1-[1-[(4-chlorophenyl)methyl]indol-3-yl]butan-1-ol

C19H20ClNO — CID 11109797

IUPAC1-[1-[(4-chlorophenyl)methyl]indol-3-yl]butan-1-ol
SMILESCCCC(O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C19H20ClNO/c1-2-5-19(22)17-13-21(18-7-4-3-6-16(17)18)12-14-8-10-15(20)11-9-14/h3-4,6-11,13,19,22H,2,5,12H2,1H3
InChIKeyCRSFQTXVLPZFFF-UHFFFAOYSA-N
MW313.83 g/mol
LogP5.18
Rot. Bonds5

About 1-[1-[(4-chlorophenyl)methyl]indol-3-yl]butan-1-ol

1-[1-[(4-chlorophenyl)methyl]indol-3-yl]butan-1-ol (PubChem CID 11109797) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]indol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]indol-3-yl]butan-1-ol
PubChem CID11109797
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name1-[1-[(4-chlorophenyl)methyl]indol-3-yl]butan-1-ol
SMILESCCCC(O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C19H20ClNO/c1-2-5-19(22)17-13-21(18-7-4-3-6-16(17)18)12-14-8-10-15(20)11-9-14/h3-4,6-11,13,19,22H,2,5,12H2,1H3
InChIKeyCRSFQTXVLPZFFF-UHFFFAOYSA-N
XLogP5.18
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.83
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indol-3-yl]butan-1-ol?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indol-3-yl]butan-1-ol (CID 11109797) is 1-[1-[(4-chlorophenyl)methyl]indol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]indol-3-yl]butan-1-ol?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]indol-3-yl]butan-1-ol is CCCC(O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]indol-3-yl]butan-1-ol?
The InChIKey is CRSFQTXVLPZFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-2-5-19(22)17-13-21(18-7-4-3-6-16(17)18)12-14-8-10-15(20)11-9-14/h3-4,6-11,13,19,22H,2,5,12H2,1H3.
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]indol-3-yl]butan-1-ol?
1-[1-[(4-chlorophenyl)methyl]indol-3-yl]butan-1-ol has a molecular weight of 313.83 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]indol-3-yl]butan-1-ol is sourced from PubChem (CID 11109797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).