1-[4-[(3-chlorophenyl)methoxy]phenyl]indol-3-ol

C21H16ClNO2 — CID 174573784

IUPAC1-[4-[(3-chlorophenyl)methoxy]phenyl]indol-3-ol
SMILESOc1cn(-c2ccc(OCc3cccc(Cl)c3)cc2)c2ccccc12
InChIInChI=1S/C21H16ClNO2/c22-16-5-3-4-15(12-16)14-25-18-10-8-17(9-11-18)23-13-21(24)19-6-1-2-7-20(19)23/h1-13,24H,14H2
InChIKeyAOXQVQLROOJOSX-UHFFFAOYSA-N
MW349.82 g/mol
LogP5.57
Rot. Bonds4

About 1-[4-[(3-chlorophenyl)methoxy]phenyl]indol-3-ol

1-[4-[(3-chlorophenyl)methoxy]phenyl]indol-3-ol (PubChem CID 174573784) has the molecular formula C21H16ClNO2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 1-[4-[(3-chlorophenyl)methoxy]phenyl]indol-3-ol.

Molecular Properties

Compound Name1-[4-[(3-chlorophenyl)methoxy]phenyl]indol-3-ol
PubChem CID174573784
Molecular FormulaC21H16ClNO2
Molecular Weight349.82 g/mol
Exact Mass349.09
IUPAC Name1-[4-[(3-chlorophenyl)methoxy]phenyl]indol-3-ol
SMILESOc1cn(-c2ccc(OCc3cccc(Cl)c3)cc2)c2ccccc12
InChIInChI=1S/C21H16ClNO2/c22-16-5-3-4-15(12-16)14-25-18-10-8-17(9-11-18)23-13-21(24)19-6-1-2-7-20(19)23/h1-13,24H,14H2
InChIKeyAOXQVQLROOJOSX-UHFFFAOYSA-N
XLogP5.57
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.82
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chlorophenyl)methoxy]phenyl]indol-3-ol?
The IUPAC name of 1-[4-[(3-chlorophenyl)methoxy]phenyl]indol-3-ol (CID 174573784) is 1-[4-[(3-chlorophenyl)methoxy]phenyl]indol-3-ol.
What is the SMILES notation for 1-[4-[(3-chlorophenyl)methoxy]phenyl]indol-3-ol?
The canonical SMILES for 1-[4-[(3-chlorophenyl)methoxy]phenyl]indol-3-ol is Oc1cn(-c2ccc(OCc3cccc(Cl)c3)cc2)c2ccccc12.
What is the InChIKey of 1-[4-[(3-chlorophenyl)methoxy]phenyl]indol-3-ol?
The InChIKey is AOXQVQLROOJOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO2/c22-16-5-3-4-15(12-16)14-25-18-10-8-17(9-11-18)23-13-21(24)19-6-1-2-7-20(19)23/h1-13,24H,14H2.
What are the key properties of 1-[4-[(3-chlorophenyl)methoxy]phenyl]indol-3-ol?
1-[4-[(3-chlorophenyl)methoxy]phenyl]indol-3-ol has a molecular weight of 349.82 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chlorophenyl)methoxy]phenyl]indol-3-ol is sourced from PubChem (CID 174573784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).