(2S)-2-(4-hydroxyphenyl)-2-(3-methyl-1H-indol-2-yl)-2-phenylacetaldehyde

C23H19NO2 — CID 176507329

IUPAC(2S)-2-(4-hydroxyphenyl)-2-(3-methyl-1H-indol-2-yl)-2-phenylacetaldehyde
SMILESCc1c([C@](C=O)(c2ccccc2)c2ccc(O)cc2)[nH]c2ccccc12
InChIInChI=1S/C23H19NO2/c1-16-20-9-5-6-10-21(20)24-22(16)23(15-25,17-7-3-2-4-8-17)18-11-13-19(26)14-12-18/h2-15,24,26H,1H3/t23-/m1/s1
InChIKeyKTBIHDRNWCFLTB-HSZRJFAPSA-N
MW341.41 g/mol
LogP4.72
Rot. Bonds4

About (2S)-2-(4-hydroxyphenyl)-2-(3-methyl-1H-indol-2-yl)-2-phenylacetaldehyde

(2S)-2-(4-hydroxyphenyl)-2-(3-methyl-1H-indol-2-yl)-2-phenylacetaldehyde (PubChem CID 176507329) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2S)-2-(4-hydroxyphenyl)-2-(3-methyl-1H-indol-2-yl)-2-phenylacetaldehyde.

Molecular Properties

Compound Name(2S)-2-(4-hydroxyphenyl)-2-(3-methyl-1H-indol-2-yl)-2-phenylacetaldehyde
PubChem CID176507329
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name(2S)-2-(4-hydroxyphenyl)-2-(3-methyl-1H-indol-2-yl)-2-phenylacetaldehyde
SMILESCc1c([C@](C=O)(c2ccccc2)c2ccc(O)cc2)[nH]c2ccccc12
InChIInChI=1S/C23H19NO2/c1-16-20-9-5-6-10-21(20)24-22(16)23(15-25,17-7-3-2-4-8-17)18-11-13-19(26)14-12-18/h2-15,24,26H,1H3/t23-/m1/s1
InChIKeyKTBIHDRNWCFLTB-HSZRJFAPSA-N
XLogP4.72
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,2-bis(3-hydroxy-2-methylphenyl)-2-phenylacetaldehyde
CID 88601459
diethyl 2-methyl-2-(3-methyl-1H-indol-2-yl)propanedioate
CID 177452583
ethane;4-hydroxy-3-methyl-1H-quinolin-2-one
CID 142092755
2-(4-hydroxyphenyl)-2-(4-methylphenyl)-2-(3-methyl-2-phenyl-1H-indol-6-yl)acetonitrile
CID 171781186
4-(2-methyl-1H-indol-3-yl)phenol
CID 69113078
2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid
CID 96619133
4-[(1,2,3,4,5,6-13C6)cyclohexatrienyl-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 171380903
[4-[(4-hydroxyphenyl)-diphenylmethyl]phenyl] formate
CID 89040248
4-[[(4-hydroxyphenyl)-diphenylmethoxy]-diphenylmethyl]phenol
CID 91006849
copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790
3-methyl-2-phenyl-1H-indol-6-ol
CID 22141383
9H-carbazole;carbonic acid
CID 67577328

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-hydroxyphenyl)-2-(3-methyl-1H-indol-2-yl)-2-phenylacetaldehyde?
The IUPAC name of (2S)-2-(4-hydroxyphenyl)-2-(3-methyl-1H-indol-2-yl)-2-phenylacetaldehyde (CID 176507329) is (2S)-2-(4-hydroxyphenyl)-2-(3-methyl-1H-indol-2-yl)-2-phenylacetaldehyde.
What is the SMILES notation for (2S)-2-(4-hydroxyphenyl)-2-(3-methyl-1H-indol-2-yl)-2-phenylacetaldehyde?
The canonical SMILES for (2S)-2-(4-hydroxyphenyl)-2-(3-methyl-1H-indol-2-yl)-2-phenylacetaldehyde is Cc1c([C@](C=O)(c2ccccc2)c2ccc(O)cc2)[nH]c2ccccc12.
What is the InChIKey of (2S)-2-(4-hydroxyphenyl)-2-(3-methyl-1H-indol-2-yl)-2-phenylacetaldehyde?
The InChIKey is KTBIHDRNWCFLTB-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H19NO2/c1-16-20-9-5-6-10-21(20)24-22(16)23(15-25,17-7-3-2-4-8-17)18-11-13-19(26)14-12-18/h2-15,24,26H,1H3/t23-/m1/s1.
What are the key properties of (2S)-2-(4-hydroxyphenyl)-2-(3-methyl-1H-indol-2-yl)-2-phenylacetaldehyde?
(2S)-2-(4-hydroxyphenyl)-2-(3-methyl-1H-indol-2-yl)-2-phenylacetaldehyde has a molecular weight of 341.41 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-hydroxyphenyl)-2-(3-methyl-1H-indol-2-yl)-2-phenylacetaldehyde is sourced from PubChem (CID 176507329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).