6-(4-phenylmethoxyphenyl)hexanoic acid

C19H22O3 — CID 138486172

IUPAC6-(4-phenylmethoxyphenyl)hexanoic acid
SMILESO=C(O)CCCCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H22O3/c20-19(21)10-6-2-3-7-16-11-13-18(14-12-16)22-15-17-8-4-1-5-9-17/h1,4-5,8-9,11-14H,2-3,6-7,10,15H2,(H,20,21)
InChIKeyNTFUENKFOIJCSL-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.45
Rot. Bonds9

About 6-(4-phenylmethoxyphenyl)hexanoic acid

6-(4-phenylmethoxyphenyl)hexanoic acid (PubChem CID 138486172) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 6-(4-phenylmethoxyphenyl)hexanoic acid.

Molecular Properties

Compound Name6-(4-phenylmethoxyphenyl)hexanoic acid
PubChem CID138486172
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name6-(4-phenylmethoxyphenyl)hexanoic acid
SMILESO=C(O)CCCCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H22O3/c20-19(21)10-6-2-3-7-16-11-13-18(14-12-16)22-15-17-8-4-1-5-9-17/h1,4-5,8-9,11-14H,2-3,6-7,10,15H2,(H,20,21)
InChIKeyNTFUENKFOIJCSL-UHFFFAOYSA-N
XLogP4.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-(4-phenylmethoxyphenoxy)octanoic acid
CID 67165389
7-(4-phenylmethoxyphenoxy)heptanoic acid
CID 66930866
5-(4-phenylmethoxyphenoxy)pentanoic acid
CID 11695119
15-phenylpentadecanoic acid
CID 2737151
5-[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]pentanoic acid
CID 139921983
3-[[4-[6-(4-phenylmethoxyphenoxy)hexyl]benzoyl]amino]propanoic acid
CID 67485301
3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
CID 51349860
3-[3-[4-[2-(4-phenylmethoxyphenyl)ethoxy]phenyl]propylamino]propanoic acid
CID 23121054
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylmethoxyphenyl)hexanoic acid?
The IUPAC name of 6-(4-phenylmethoxyphenyl)hexanoic acid (CID 138486172) is 6-(4-phenylmethoxyphenyl)hexanoic acid.
What is the SMILES notation for 6-(4-phenylmethoxyphenyl)hexanoic acid?
The canonical SMILES for 6-(4-phenylmethoxyphenyl)hexanoic acid is O=C(O)CCCCCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 6-(4-phenylmethoxyphenyl)hexanoic acid?
The InChIKey is NTFUENKFOIJCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c20-19(21)10-6-2-3-7-16-11-13-18(14-12-16)22-15-17-8-4-1-5-9-17/h1,4-5,8-9,11-14H,2-3,6-7,10,15H2,(H,20,21).
What are the key properties of 6-(4-phenylmethoxyphenyl)hexanoic acid?
6-(4-phenylmethoxyphenyl)hexanoic acid has a molecular weight of 298.38 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylmethoxyphenyl)hexanoic acid is sourced from PubChem (CID 138486172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).