5-[6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]pentanoic acid

C25H30O3 — CID 58439105

IUPAC5-[6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]pentanoic acid
SMILESO=C(O)CCCCC1=Cc2ccc(OCCCCc3ccccc3)cc2CC1
InChIInChI=1S/C25H30O3/c26-25(27)12-5-4-11-21-13-14-23-19-24(16-15-22(23)18-21)28-17-7-6-10-20-8-2-1-3-9-20/h1-3,8-9,15-16,18-19H,4-7,10-14,17H2,(H,26,27)
InChIKeySUMTXNUSQUACCA-UHFFFAOYSA-N
MW378.51 g/mol
LogP6.06
Rot. Bonds11

About 5-[6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]pentanoic acid

5-[6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]pentanoic acid (PubChem CID 58439105) has the molecular formula C25H30O3 and a molecular weight of 378.51 g/mol. Its IUPAC name is 5-[6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]pentanoic acid.

Molecular Properties

Compound Name5-[6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]pentanoic acid
PubChem CID58439105
Molecular FormulaC25H30O3
Molecular Weight378.51 g/mol
Exact Mass378.22
IUPAC Name5-[6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]pentanoic acid
SMILESO=C(O)CCCCC1=Cc2ccc(OCCCCc3ccccc3)cc2CC1
InChIInChI=1S/C25H30O3/c26-25(27)12-5-4-11-21-13-14-23-19-24(16-15-22(23)18-21)28-17-7-6-10-20-8-2-1-3-9-20/h1-3,8-9,15-16,18-19H,4-7,10-14,17H2,(H,26,27)
InChIKeySUMTXNUSQUACCA-UHFFFAOYSA-N
XLogP6.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.51
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[6-(3-phenylpropoxy)-3,4-dihydronaphthalen-2-yl]methylamino]propanoic acid
CID 23121487
6-[3-(2-phenylethoxy)phenyl]hexanoic acid
CID 139921744
15-phenylpentadecanoic acid
CID 2737151
5-(4-phenylmethoxyphenoxy)pentanoic acid
CID 11695119
5-(3-phenylpropoxy)-2,3-dihydroinden-1-one
CID 104986122
2-[3-(4-phenylbutoxy)phenyl]acetic acid
CID 114332927
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
3-[7-(5-phenylpentoxy)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]propanoic acid;2,2,2-trifluoroacetic acid
CID 67199319
8-(4-phenylmethoxyphenoxy)octanoic acid
CID 67165389
7-(4-phenylmethoxyphenoxy)heptanoic acid
CID 66930866
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
7-(4-hexylphenoxy)heptanoic acid
CID 54502336

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]pentanoic acid?
The IUPAC name of 5-[6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]pentanoic acid (CID 58439105) is 5-[6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]pentanoic acid.
What is the SMILES notation for 5-[6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]pentanoic acid?
The canonical SMILES for 5-[6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]pentanoic acid is O=C(O)CCCCC1=Cc2ccc(OCCCCc3ccccc3)cc2CC1.
What is the InChIKey of 5-[6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]pentanoic acid?
The InChIKey is SUMTXNUSQUACCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O3/c26-25(27)12-5-4-11-21-13-14-23-19-24(16-15-22(23)18-21)28-17-7-6-10-20-8-2-1-3-9-20/h1-3,8-9,15-16,18-19H,4-7,10-14,17H2,(H,26,27).
What are the key properties of 5-[6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]pentanoic acid?
5-[6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]pentanoic acid has a molecular weight of 378.51 g/mol, XLogP of 6.06, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]pentanoic acid is sourced from PubChem (CID 58439105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).