[1-[(4S)-4-hydroxypentyl]indol-3-yl]-(4-methylnaphthalen-1-yl)methanone

C25H25NO2 — CID 97301455

IUPAC[1-[(4S)-4-hydroxypentyl]indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
SMILESCc1ccc(C(=O)c2cn(CCC[C@H](C)O)c3ccccc23)c2ccccc12
InChIInChI=1S/C25H25NO2/c1-17-13-14-22(20-10-4-3-9-19(17)20)25(28)23-16-26(15-7-8-18(2)27)24-12-6-5-11-21(23)24/h3-6,9-14,16,18,27H,7-8,15H2,1-2H3/t18-/m0/s1
InChIKeyCLPJTHSXFZPIBP-SFHVURJKSA-N
MW371.48 g/mol
LogP5.49
Rot. Bonds6

About [1-[(4S)-4-hydroxypentyl]indol-3-yl]-(4-methylnaphthalen-1-yl)methanone

[1-[(4S)-4-hydroxypentyl]indol-3-yl]-(4-methylnaphthalen-1-yl)methanone (PubChem CID 97301455) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is [1-[(4S)-4-hydroxypentyl]indol-3-yl]-(4-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name[1-[(4S)-4-hydroxypentyl]indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
PubChem CID97301455
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name[1-[(4S)-4-hydroxypentyl]indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
SMILESCc1ccc(C(=O)c2cn(CCC[C@H](C)O)c3ccccc23)c2ccccc12
InChIInChI=1S/C25H25NO2/c1-17-13-14-22(20-10-4-3-9-19(17)20)25(28)23-16-26(15-7-8-18(2)27)24-12-6-5-11-21(23)24/h3-6,9-14,16,18,27H,7-8,15H2,1-2H3/t18-/m0/s1
InChIKeyCLPJTHSXFZPIBP-SFHVURJKSA-N
XLogP5.49
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 117065193
5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid
CID 91864527
[1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
CID 165361507
[1-(4-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 91736656
[1-(2-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
CID 91707981
[1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 91713112
(4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 45267043
(4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone
CID 71461422
ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate
CID 72948236
(1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone
CID 159355298
[1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 155516632
(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148

Frequently Asked Questions

What is the IUPAC name of [1-[(4S)-4-hydroxypentyl]indol-3-yl]-(4-methylnaphthalen-1-yl)methanone?
The IUPAC name of [1-[(4S)-4-hydroxypentyl]indol-3-yl]-(4-methylnaphthalen-1-yl)methanone (CID 97301455) is [1-[(4S)-4-hydroxypentyl]indol-3-yl]-(4-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for [1-[(4S)-4-hydroxypentyl]indol-3-yl]-(4-methylnaphthalen-1-yl)methanone?
The canonical SMILES for [1-[(4S)-4-hydroxypentyl]indol-3-yl]-(4-methylnaphthalen-1-yl)methanone is Cc1ccc(C(=O)c2cn(CCC[C@H](C)O)c3ccccc23)c2ccccc12.
What is the InChIKey of [1-[(4S)-4-hydroxypentyl]indol-3-yl]-(4-methylnaphthalen-1-yl)methanone?
The InChIKey is CLPJTHSXFZPIBP-SFHVURJKSA-N. The full InChI is InChI=1S/C25H25NO2/c1-17-13-14-22(20-10-4-3-9-19(17)20)25(28)23-16-26(15-7-8-18(2)27)24-12-6-5-11-21(23)24/h3-6,9-14,16,18,27H,7-8,15H2,1-2H3/t18-/m0/s1.
What are the key properties of [1-[(4S)-4-hydroxypentyl]indol-3-yl]-(4-methylnaphthalen-1-yl)methanone?
[1-[(4S)-4-hydroxypentyl]indol-3-yl]-(4-methylnaphthalen-1-yl)methanone has a molecular weight of 371.48 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4S)-4-hydroxypentyl]indol-3-yl]-(4-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 97301455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).