1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol

C27H29NO — CID 58986329

IUPAC1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol
SMILESCC(C)c1c(CCCc2ccccc2)c2cc(O)ccc2n1Cc1ccccc1
InChIInChI=1S/C27H29NO/c1-20(2)27-24(15-9-14-21-10-5-3-6-11-21)25-18-23(29)16-17-26(25)28(27)19-22-12-7-4-8-13-22/h3-8,10-13,16-18,20,29H,9,14-15,19H2,1-2H3
InChIKeyAUDCWONGVNXCIW-UHFFFAOYSA-N
MW383.54 g/mol
LogP6.69
Rot. Bonds7

About 1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol

1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol (PubChem CID 58986329) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol.

Molecular Properties

Compound Name1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol
PubChem CID58986329
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC Name1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol
SMILESCC(C)c1c(CCCc2ccccc2)c2cc(O)ccc2n1Cc1ccccc1
InChIInChI=1S/C27H29NO/c1-20(2)27-24(15-9-14-21-10-5-3-6-11-21)25-18-23(29)16-17-26(25)28(27)19-22-12-7-4-8-13-22/h3-8,10-13,16-18,20,29H,9,14-15,19H2,1-2H3
InChIKeyAUDCWONGVNXCIW-UHFFFAOYSA-N
XLogP6.69
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol?
The IUPAC name of 1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol (CID 58986329) is 1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol.
What is the SMILES notation for 1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol?
The canonical SMILES for 1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol is CC(C)c1c(CCCc2ccccc2)c2cc(O)ccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol?
The InChIKey is AUDCWONGVNXCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO/c1-20(2)27-24(15-9-14-21-10-5-3-6-11-21)25-18-23(29)16-17-26(25)28(27)19-22-12-7-4-8-13-22/h3-8,10-13,16-18,20,29H,9,14-15,19H2,1-2H3.
What are the key properties of 1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol?
1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol has a molecular weight of 383.54 g/mol, XLogP of 6.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-phenylpropyl)-2-propan-2-ylindol-5-ol is sourced from PubChem (CID 58986329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).