[1-(1-hydroxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone

C22H25NO2 — CID 12852034

IUPAC[1-(1-hydroxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone
SMILESCCCCC(CO)n1c(C)c(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H25NO2/c1-3-4-12-18(15-24)23-16(2)21(19-13-8-9-14-20(19)23)22(25)17-10-6-5-7-11-17/h5-11,13-14,18,24H,3-4,12,15H2,1-2H3
InChIKeyBKYXHOUUGVLNOW-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.90
Rot. Bonds7

About [1-(1-hydroxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone

[1-(1-hydroxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone (PubChem CID 12852034) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is [1-(1-hydroxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(1-hydroxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone
PubChem CID12852034
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name[1-(1-hydroxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone
SMILESCCCCC(CO)n1c(C)c(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H25NO2/c1-3-4-12-18(15-24)23-16(2)21(19-13-8-9-14-20(19)23)22(25)17-10-6-5-7-11-17/h5-11,13-14,18,24H,3-4,12,15H2,1-2H3
InChIKeyBKYXHOUUGVLNOW-UHFFFAOYSA-N
XLogP4.90
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-ethoxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone
CID 70526826
[1-(1-ethoxypentyl)-2-methylindol-3-yl]-phenylmethanone
CID 70526808
[1-(1-ethylsulfanylbutyl)-2-methylindol-3-yl]-phenylmethanone
CID 70526821
[1-(1-ethylsulfonylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone
CID 70526326
[1-(1-ethoxybutyl)-2-methylindol-3-yl]-phenylmethanone
CID 70526186
[1-[1-(benzenesulfinyl)butyl]-2-methylindol-3-yl]-phenylmethanone
CID 70526149
[2-methyl-1-(4-phenylsulfanylbutan-2-yl)indol-3-yl]-phenylmethanone
CID 70525880
(2-methyl-1-undecylindol-3-yl)-phenylmethanone
CID 70525759
[1-(4-ethylsulfinylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone
CID 70526697
[1-(7-methoxyheptan-2-yl)-2-methylindol-3-yl]-phenylmethanone
CID 70526497
3-(3-benzoyl-2-methylindol-1-yl)butanal
CID 88732770
[2-methyl-1-(1-pyridin-2-ylsulfonylpropyl)indol-3-yl]-phenylmethanone
CID 70574762

Frequently Asked Questions

What is the IUPAC name of [1-(1-hydroxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone?
The IUPAC name of [1-(1-hydroxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone (CID 12852034) is [1-(1-hydroxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone.
What is the SMILES notation for [1-(1-hydroxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone?
The canonical SMILES for [1-(1-hydroxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone is CCCCC(CO)n1c(C)c(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of [1-(1-hydroxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone?
The InChIKey is BKYXHOUUGVLNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-3-4-12-18(15-24)23-16(2)21(19-13-8-9-14-20(19)23)22(25)17-10-6-5-7-11-17/h5-11,13-14,18,24H,3-4,12,15H2,1-2H3.
What are the key properties of [1-(1-hydroxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone?
[1-(1-hydroxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone has a molecular weight of 335.45 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-hydroxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone is sourced from PubChem (CID 12852034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).