2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid

C22H22O2 — CID 14600094

IUPAC2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid
SMILESO=C(O)C(CCCc1ccccc1)Cc1cccc2ccccc12
InChIInChI=1S/C22H22O2/c23-22(24)20(14-6-10-17-8-2-1-3-9-17)16-19-13-7-12-18-11-4-5-15-21(18)19/h1-5,7-9,11-13,15,20H,6,10,14,16H2,(H,23,24)
InChIKeySYAFDJWWPFWHFM-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.11
Rot. Bonds7

About 2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid

2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid (PubChem CID 14600094) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid
PubChem CID14600094
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid
SMILESO=C(O)C(CCCc1ccccc1)Cc1cccc2ccccc12
InChIInChI=1S/C22H22O2/c23-22(24)20(14-6-10-17-8-2-1-3-9-17)16-19-13-7-12-18-11-4-5-15-21(18)19/h1-5,7-9,11-13,15,20H,6,10,14,16H2,(H,23,24)
InChIKeySYAFDJWWPFWHFM-UHFFFAOYSA-N
XLogP5.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid
CID 63402472
(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid
CID 10466391
(2R)-4-cyano-2-(naphthalen-1-ylmethyl)butanoic acid
CID 18611834
(2R)-2-benzyl-6-phenylhexanoic acid
CID 131720158
3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid
CID 169444867
2-(tert-butylsulfanylmethyl)-3-naphthalen-1-ylpropanoic acid
CID 23212908
2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid
CID 14252647
2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-5-naphthalen-1-ylpentanoic acid
CID 46244432
1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621
4-naphthalen-1-ylbutanoyl 4-phenylbutanoate
CID 138543453
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
2-[(2-methoxyphenyl)methyl]-4-phenylbutanoic acid
CID 79422266

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid (CID 14600094) is 2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid is O=C(O)C(CCCc1ccccc1)Cc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid?
The InChIKey is SYAFDJWWPFWHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c23-22(24)20(14-6-10-17-8-2-1-3-9-17)16-19-13-7-12-18-11-4-5-15-21(18)19/h1-5,7-9,11-13,15,20H,6,10,14,16H2,(H,23,24).
What are the key properties of 2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid?
2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid has a molecular weight of 318.42 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid is sourced from PubChem (CID 14600094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).