[3-(hydroxymethyl)-2-methylindol-1-yl]-(4-phenylmethoxyphenyl)methanone

C24H21NO3 — CID 99971797

IUPAC[3-(hydroxymethyl)-2-methylindol-1-yl]-(4-phenylmethoxyphenyl)methanone
SMILESCc1c(CO)c2ccccc2n1C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H21NO3/c1-17-22(15-26)21-9-5-6-10-23(21)25(17)24(27)19-11-13-20(14-12-19)28-16-18-7-3-2-4-8-18/h2-14,26H,15-16H2,1H3
InChIKeyUURDUHHYTISQBL-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.71
Rot. Bonds5

About [3-(hydroxymethyl)-2-methylindol-1-yl]-(4-phenylmethoxyphenyl)methanone

[3-(hydroxymethyl)-2-methylindol-1-yl]-(4-phenylmethoxyphenyl)methanone (PubChem CID 99971797) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is [3-(hydroxymethyl)-2-methylindol-1-yl]-(4-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-2-methylindol-1-yl]-(4-phenylmethoxyphenyl)methanone
PubChem CID99971797
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name[3-(hydroxymethyl)-2-methylindol-1-yl]-(4-phenylmethoxyphenyl)methanone
SMILESCc1c(CO)c2ccccc2n1C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H21NO3/c1-17-22(15-26)21-9-5-6-10-23(21)25(17)24(27)19-11-13-20(14-12-19)28-16-18-7-3-2-4-8-18/h2-14,26H,15-16H2,1H3
InChIKeyUURDUHHYTISQBL-UHFFFAOYSA-N
XLogP4.71
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(4-phenylmethoxybenzoyl)indole-3-carbohydrazide
CID 99971684
2-[1-[4-(1,3-benzodioxol-2-ylmethoxy)benzoyl]-2-methylindol-3-yl]acetic acid
CID 58740948
9-(4-chlorobenzoyl)-6-phenylmethoxycarbazole-3-carboxylic acid
CID 141445343
2-[5-methoxy-2-methyl-1-[4-(2-phenylethoxy)benzoyl]indol-3-yl]acetic acid
CID 10138321
4-phenylmethoxybenzoic acid
CID 68896574
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
2-[2-methyl-1-(4-nitrobenzoyl)indol-3-yl]acetic acid
CID 23092919
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
2-(4-bromophenoxy)-1-[3-(hydroxymethyl)-2-methylindol-1-yl]-2-methylpropan-1-one
CID 99971013
3-[2-methyl-1-[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-3-yl]propanoic acid
CID 10163089
4-phenylmethoxybenzoyl fluoride
CID 154719359
benzyl 1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-carboxylate
CID 154136063

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-2-methylindol-1-yl]-(4-phenylmethoxyphenyl)methanone?
The IUPAC name of [3-(hydroxymethyl)-2-methylindol-1-yl]-(4-phenylmethoxyphenyl)methanone (CID 99971797) is [3-(hydroxymethyl)-2-methylindol-1-yl]-(4-phenylmethoxyphenyl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)-2-methylindol-1-yl]-(4-phenylmethoxyphenyl)methanone?
The canonical SMILES for [3-(hydroxymethyl)-2-methylindol-1-yl]-(4-phenylmethoxyphenyl)methanone is Cc1c(CO)c2ccccc2n1C(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [3-(hydroxymethyl)-2-methylindol-1-yl]-(4-phenylmethoxyphenyl)methanone?
The InChIKey is UURDUHHYTISQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-17-22(15-26)21-9-5-6-10-23(21)25(17)24(27)19-11-13-20(14-12-19)28-16-18-7-3-2-4-8-18/h2-14,26H,15-16H2,1H3.
What are the key properties of [3-(hydroxymethyl)-2-methylindol-1-yl]-(4-phenylmethoxyphenyl)methanone?
[3-(hydroxymethyl)-2-methylindol-1-yl]-(4-phenylmethoxyphenyl)methanone has a molecular weight of 371.44 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-2-methylindol-1-yl]-(4-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 99971797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).