3-[(4-methoxyphenyl)-phenylmethyl]-1H-indole

C22H19NO — CID 53325642

IUPAC3-[(4-methoxyphenyl)-phenylmethyl]-1H-indole
SMILESCOc1ccc(C(c2ccccc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H19NO/c1-24-18-13-11-17(12-14-18)22(16-7-3-2-4-8-16)20-15-23-21-10-6-5-9-19(20)21/h2-15,22-23H,1H3
InChIKeyBTEQZWJLBYEBLQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.36
Rot. Bonds4

About 3-[(4-methoxyphenyl)-phenylmethyl]-1H-indole

3-[(4-methoxyphenyl)-phenylmethyl]-1H-indole (PubChem CID 53325642) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-phenylmethyl]-1H-indole.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-phenylmethyl]-1H-indole
PubChem CID53325642
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name3-[(4-methoxyphenyl)-phenylmethyl]-1H-indole
SMILESCOc1ccc(C(c2ccccc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H19NO/c1-24-18-13-11-17(12-14-18)22(16-7-3-2-4-8-16)20-15-23-21-10-6-5-9-19(20)21/h2-15,22-23H,1H3
InChIKeyBTEQZWJLBYEBLQ-UHFFFAOYSA-N
XLogP5.36
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-phenylmethyl]-1H-indole?
The IUPAC name of 3-[(4-methoxyphenyl)-phenylmethyl]-1H-indole (CID 53325642) is 3-[(4-methoxyphenyl)-phenylmethyl]-1H-indole.
What is the SMILES notation for 3-[(4-methoxyphenyl)-phenylmethyl]-1H-indole?
The canonical SMILES for 3-[(4-methoxyphenyl)-phenylmethyl]-1H-indole is COc1ccc(C(c2ccccc2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)-phenylmethyl]-1H-indole?
The InChIKey is BTEQZWJLBYEBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-24-18-13-11-17(12-14-18)22(16-7-3-2-4-8-16)20-15-23-21-10-6-5-9-19(20)21/h2-15,22-23H,1H3.
What are the key properties of 3-[(4-methoxyphenyl)-phenylmethyl]-1H-indole?
3-[(4-methoxyphenyl)-phenylmethyl]-1H-indole has a molecular weight of 313.40 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-phenylmethyl]-1H-indole is sourced from PubChem (CID 53325642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).