3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one

C21H17NO3 — CID 3860640

IUPAC3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
SMILESCc1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H17NO3/c1-13-3-2-4-18-19(13)22-20(25)21(18,14-5-9-16(23)10-6-14)15-7-11-17(24)12-8-15/h2-12,23-24H,1H3,(H,22,25)
InChIKeyFABLAHMQSQFDHR-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.69
Rot. Bonds2

About 3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one

3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one (PubChem CID 3860640) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
PubChem CID3860640
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
SMILESCc1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H17NO3/c1-13-3-2-4-18-19(13)22-20(25)21(18,14-5-9-16(23)10-6-14)15-7-11-17(24)12-8-15/h2-12,23-24H,1H3,(H,22,25)
InChIKeyFABLAHMQSQFDHR-UHFFFAOYSA-N
XLogP3.69
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one?
The IUPAC name of 3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one (CID 3860640) is 3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one.
What is the SMILES notation for 3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one?
The canonical SMILES for 3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one is Cc1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one?
The InChIKey is FABLAHMQSQFDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-13-3-2-4-18-19(13)22-20(25)21(18,14-5-9-16(23)10-6-14)15-7-11-17(24)12-8-15/h2-12,23-24H,1H3,(H,22,25).
What are the key properties of 3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one?
3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one has a molecular weight of 331.37 g/mol, XLogP of 3.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one is sourced from PubChem (CID 3860640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).