4-(2-methylphenyl)-5-(3-phenylmethoxyphenyl)pentanoic acid

C25H26O3 — CID 10619423

IUPAC4-(2-methylphenyl)-5-(3-phenylmethoxyphenyl)pentanoic acid
SMILESCc1ccccc1C(CCC(=O)O)Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C25H26O3/c1-19-8-5-6-13-24(19)22(14-15-25(26)27)16-21-11-7-12-23(17-21)28-18-20-9-3-2-4-10-20/h2-13,17,22H,14-16,18H2,1H3,(H,26,27)
InChIKeyPNQNTMSTHFAHOM-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.77
Rot. Bonds9

About 4-(2-methylphenyl)-5-(3-phenylmethoxyphenyl)pentanoic acid

4-(2-methylphenyl)-5-(3-phenylmethoxyphenyl)pentanoic acid (PubChem CID 10619423) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-(2-methylphenyl)-5-(3-phenylmethoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name4-(2-methylphenyl)-5-(3-phenylmethoxyphenyl)pentanoic acid
PubChem CID10619423
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Name4-(2-methylphenyl)-5-(3-phenylmethoxyphenyl)pentanoic acid
SMILESCc1ccccc1C(CCC(=O)O)Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C25H26O3/c1-19-8-5-6-13-24(19)22(14-15-25(26)27)16-21-11-7-12-23(17-21)28-18-20-9-3-2-4-10-20/h2-13,17,22H,14-16,18H2,1H3,(H,26,27)
InChIKeyPNQNTMSTHFAHOM-UHFFFAOYSA-N
XLogP5.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-[(3-aminophenyl)methoxy]phenyl]-4-(2-methylphenyl)-5-oxopentanoic acid
CID 22010320
2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 22241425
(4S)-4-(2-ethylphenyl)-5-oxo-5-(3-phenylmethoxyphenyl)pentanoic acid
CID 70223821
(4S)-4-(2-methylphenyl)-5-oxo-5-[3-(thiophen-3-ylmethoxy)phenyl]pentanoic acid
CID 10692031
ethane;2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 142024512
3-(2-methylphenyl)-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid
CID 59132673
2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid
CID 84752879
(4S)-4-(2-methylphenyl)-5-(2-methyl-3-phenylmethoxyphenyl)-5-oxopentanoic acid
CID 70225916
(4S)-4-(2-methylphenyl)-5-(4-methyl-3-phenylmethoxyphenyl)-5-oxopentanoic acid
CID 70223766
3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid
CID 58239597
2-(2-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10519489
2-(3-methoxyphenyl)-1-(2-methylphenyl)ethanol
CID 61262736

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-5-(3-phenylmethoxyphenyl)pentanoic acid?
The IUPAC name of 4-(2-methylphenyl)-5-(3-phenylmethoxyphenyl)pentanoic acid (CID 10619423) is 4-(2-methylphenyl)-5-(3-phenylmethoxyphenyl)pentanoic acid.
What is the SMILES notation for 4-(2-methylphenyl)-5-(3-phenylmethoxyphenyl)pentanoic acid?
The canonical SMILES for 4-(2-methylphenyl)-5-(3-phenylmethoxyphenyl)pentanoic acid is Cc1ccccc1C(CCC(=O)O)Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 4-(2-methylphenyl)-5-(3-phenylmethoxyphenyl)pentanoic acid?
The InChIKey is PNQNTMSTHFAHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O3/c1-19-8-5-6-13-24(19)22(14-15-25(26)27)16-21-11-7-12-23(17-21)28-18-20-9-3-2-4-10-20/h2-13,17,22H,14-16,18H2,1H3,(H,26,27).
What are the key properties of 4-(2-methylphenyl)-5-(3-phenylmethoxyphenyl)pentanoic acid?
4-(2-methylphenyl)-5-(3-phenylmethoxyphenyl)pentanoic acid has a molecular weight of 374.48 g/mol, XLogP of 5.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-5-(3-phenylmethoxyphenyl)pentanoic acid is sourced from PubChem (CID 10619423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).