2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid

C19H22O3 — CID 84752879

IUPAC2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid
SMILESCCCC(Cc1cccc(OCc2ccccc2)c1)C(=O)O
InChIInChI=1S/C19H22O3/c1-2-7-17(19(20)21)12-16-10-6-11-18(13-16)22-14-15-8-4-3-5-9-15/h3-6,8-11,13,17H,2,7,12,14H2,1H3,(H,20,21)
InChIKeyYGLVUPCIWUHBPW-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.31
Rot. Bonds8

About 2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid

2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid (PubChem CID 84752879) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid
PubChem CID84752879
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid
SMILESCCCC(Cc1cccc(OCc2ccccc2)c1)C(=O)O
InChIInChI=1S/C19H22O3/c1-2-7-17(19(20)21)12-16-10-6-11-18(13-16)22-14-15-8-4-3-5-9-15/h3-6,8-11,13,17H,2,7,12,14H2,1H3,(H,20,21)
InChIKeyYGLVUPCIWUHBPW-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-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid
CID 120509588
3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 83952104
1-phenylmethoxy-3-propylbenzene
CID 58977798
4-methoxy-2-[(3-methoxyphenyl)methyl]butanoic acid
CID 60793375
ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate
CID 154815416
(2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid
CID 95003342
3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
1-hexan-3-yl-3-phenylmethoxybenzene
CID 91388461
(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine
CID 139719271
4-(2-methylphenyl)-5-(3-phenylmethoxyphenyl)pentanoic acid
CID 10619423
(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol
CID 69097361
2-benzyl-3-(3-methylphenoxy)propanoic acid
CID 117241645

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid?
The IUPAC name of 2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid (CID 84752879) is 2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid.
What is the SMILES notation for 2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid?
The canonical SMILES for 2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid is CCCC(Cc1cccc(OCc2ccccc2)c1)C(=O)O.
What is the InChIKey of 2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid?
The InChIKey is YGLVUPCIWUHBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-2-7-17(19(20)21)12-16-10-6-11-18(13-16)22-14-15-8-4-3-5-9-15/h3-6,8-11,13,17H,2,7,12,14H2,1H3,(H,20,21).
What are the key properties of 2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid?
2-[(3-phenylmethoxyphenyl)methyl]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-[(3-phenylmethoxyphenyl)methyl]pentanoic acid is sourced from PubChem (CID 84752879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).