2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid

C19H22O3 — CID 175893431

IUPAC2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
SMILESCC(CCCc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H22O3/c1-15(19(20)21)6-5-9-16-10-12-18(13-11-16)22-14-17-7-3-2-4-8-17/h2-4,7-8,10-13,15H,5-6,9,14H2,1H3,(H,20,21)
InChIKeyWQXGKJUJVKOSLB-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.31
Rot. Bonds8

About 2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid

2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid (PubChem CID 175893431) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
PubChem CID175893431
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
SMILESCC(CCCc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H22O3/c1-15(19(20)21)6-5-9-16-10-12-18(13-11-16)22-14-17-7-3-2-4-8-17/h2-4,7-8,10-13,15H,5-6,9,14H2,1H3,(H,20,21)
InChIKeyWQXGKJUJVKOSLB-UHFFFAOYSA-N
XLogP4.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 56631136
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid
CID 156638477
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
2-methyl-4-phenylbutanoic acid
CID 66896591
1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene
CID 57147000
3-methyl-6-phenylhexan-2-one
CID 59396975
(2S)-2-[(2S)-2-hydroxy-2-[4-(4-phenylmethoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid
CID 57129437
3-methyloctan-2-one;1-(4-phenylmethoxyphenyl)propan-2-one
CID 142081046
3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 11381046

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid?
The IUPAC name of 2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid (CID 175893431) is 2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid.
What is the SMILES notation for 2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid?
The canonical SMILES for 2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid is CC(CCCc1ccc(OCc2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid?
The InChIKey is WQXGKJUJVKOSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-15(19(20)21)6-5-9-16-10-12-18(13-11-16)22-14-17-7-3-2-4-8-17/h2-4,7-8,10-13,15H,5-6,9,14H2,1H3,(H,20,21).
What are the key properties of 2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid?
2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid has a molecular weight of 298.38 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid is sourced from PubChem (CID 175893431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).