methyl (2R)-2-[(1S)-1-hydroxy-1-naphthalen-1-ylethyl]-5-phenylpentanoate

C24H26O3 — CID 164676141

IUPACmethyl (2R)-2-[(1S)-1-hydroxy-1-naphthalen-1-ylethyl]-5-phenylpentanoate
SMILESCOC(=O)[C@H](CCCc1ccccc1)[C@](C)(O)c1cccc2ccccc12
InChIInChI=1S/C24H26O3/c1-24(26,21-16-9-14-19-13-6-7-15-20(19)21)22(23(25)27-2)17-8-12-18-10-4-3-5-11-18/h3-7,9-11,13-16,22,26H,8,12,17H2,1-2H3/t22-,24+/m0/s1
InChIKeyIUJCLYUQFIIUGZ-LADGPHEKSA-N
MW362.47 g/mol
LogP4.86
Rot. Bonds7

About methyl (2R)-2-[(1S)-1-hydroxy-1-naphthalen-1-ylethyl]-5-phenylpentanoate

methyl (2R)-2-[(1S)-1-hydroxy-1-naphthalen-1-ylethyl]-5-phenylpentanoate (PubChem CID 164676141) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is methyl (2R)-2-[(1S)-1-hydroxy-1-naphthalen-1-ylethyl]-5-phenylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(1S)-1-hydroxy-1-naphthalen-1-ylethyl]-5-phenylpentanoate
PubChem CID164676141
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Namemethyl (2R)-2-[(1S)-1-hydroxy-1-naphthalen-1-ylethyl]-5-phenylpentanoate
SMILESCOC(=O)[C@H](CCCc1ccccc1)[C@](C)(O)c1cccc2ccccc12
InChIInChI=1S/C24H26O3/c1-24(26,21-16-9-14-19-13-6-7-15-20(19)21)22(23(25)27-2)17-8-12-18-10-4-3-5-11-18/h3-7,9-11,13-16,22,26H,8,12,17H2,1-2H3/t22-,24+/m0/s1
InChIKeyIUJCLYUQFIIUGZ-LADGPHEKSA-N
XLogP4.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-[(1R)-1-hydroxy-1-naphthalen-1-ylethyl]but-3-enoate
CID 101424869
(3R)-3-methoxycarbonyl-6-phenylhexanoic acid
CID 67881908
methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride
CID 137346959
3-hydroxy-3-naphthalen-1-yl-2-propan-2-ylbutanoic acid
CID 62399048
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
methyl 2-amino-6-phenylhexanoate
CID 76830671
methyl 2-(1-bromoethyl)-5-phenylpentanoate
CID 175234788
2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid
CID 14600094
methyl 2-fluoro-6-phenylhexanoate
CID 46222020
(2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 66760761
(2R)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 67197757
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-5-phenylpentanoate
CID 171550382

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(1S)-1-hydroxy-1-naphthalen-1-ylethyl]-5-phenylpentanoate?
The IUPAC name of methyl (2R)-2-[(1S)-1-hydroxy-1-naphthalen-1-ylethyl]-5-phenylpentanoate (CID 164676141) is methyl (2R)-2-[(1S)-1-hydroxy-1-naphthalen-1-ylethyl]-5-phenylpentanoate.
What is the SMILES notation for methyl (2R)-2-[(1S)-1-hydroxy-1-naphthalen-1-ylethyl]-5-phenylpentanoate?
The canonical SMILES for methyl (2R)-2-[(1S)-1-hydroxy-1-naphthalen-1-ylethyl]-5-phenylpentanoate is COC(=O)[C@H](CCCc1ccccc1)[C@](C)(O)c1cccc2ccccc12.
What is the InChIKey of methyl (2R)-2-[(1S)-1-hydroxy-1-naphthalen-1-ylethyl]-5-phenylpentanoate?
The InChIKey is IUJCLYUQFIIUGZ-LADGPHEKSA-N. The full InChI is InChI=1S/C24H26O3/c1-24(26,21-16-9-14-19-13-6-7-15-20(19)21)22(23(25)27-2)17-8-12-18-10-4-3-5-11-18/h3-7,9-11,13-16,22,26H,8,12,17H2,1-2H3/t22-,24+/m0/s1.
What are the key properties of methyl (2R)-2-[(1S)-1-hydroxy-1-naphthalen-1-ylethyl]-5-phenylpentanoate?
methyl (2R)-2-[(1S)-1-hydroxy-1-naphthalen-1-ylethyl]-5-phenylpentanoate has a molecular weight of 362.47 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(1S)-1-hydroxy-1-naphthalen-1-ylethyl]-5-phenylpentanoate is sourced from PubChem (CID 164676141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).