4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol

C16H14ClNO2 — CID 117173387

IUPAC4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol
SMILESCn1c(COc2ccc(O)cc2)cc2c(Cl)cccc21
InChIInChI=1S/C16H14ClNO2/c1-18-11(9-14-15(17)3-2-4-16(14)18)10-20-13-7-5-12(19)6-8-13/h2-9,19H,10H2,1H3
InChIKeyLIIFDHKZUXMTOJ-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.12
Rot. Bonds3

About 4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol

4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol (PubChem CID 117173387) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol.

Molecular Properties

Compound Name4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol
PubChem CID117173387
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol
SMILESCn1c(COc2ccc(O)cc2)cc2c(Cl)cccc21
InChIInChI=1S/C16H14ClNO2/c1-18-11(9-14-15(17)3-2-4-16(14)18)10-20-13-7-5-12(19)6-8-13/h2-9,19H,10H2,1H3
InChIKeyLIIFDHKZUXMTOJ-UHFFFAOYSA-N
XLogP4.12
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol?
The IUPAC name of 4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol (CID 117173387) is 4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol.
What is the SMILES notation for 4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol?
The canonical SMILES for 4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol is Cn1c(COc2ccc(O)cc2)cc2c(Cl)cccc21.
What is the InChIKey of 4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol?
The InChIKey is LIIFDHKZUXMTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-18-11(9-14-15(17)3-2-4-16(14)18)10-20-13-7-5-12(19)6-8-13/h2-9,19H,10H2,1H3.
What are the key properties of 4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol?
4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol has a molecular weight of 287.75 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol is sourced from PubChem (CID 117173387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).