7-(4-phenylmethoxyphenoxy)heptanoic acid

C20H24O4 — CID 66930866

IUPAC7-(4-phenylmethoxyphenoxy)heptanoic acid
SMILESO=C(O)CCCCCCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H24O4/c21-20(22)10-6-1-2-7-15-23-18-11-13-19(14-12-18)24-16-17-8-4-3-5-9-17/h3-5,8-9,11-14H,1-2,6-7,10,15-16H2,(H,21,22)
InChIKeyUOCCJIVJTQNVDW-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.68
Rot. Bonds11

About 7-(4-phenylmethoxyphenoxy)heptanoic acid

7-(4-phenylmethoxyphenoxy)heptanoic acid (PubChem CID 66930866) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 7-(4-phenylmethoxyphenoxy)heptanoic acid.

Molecular Properties

Compound Name7-(4-phenylmethoxyphenoxy)heptanoic acid
PubChem CID66930866
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name7-(4-phenylmethoxyphenoxy)heptanoic acid
SMILESO=C(O)CCCCCCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H24O4/c21-20(22)10-6-1-2-7-15-23-18-11-13-19(14-12-18)24-16-17-8-4-3-5-9-17/h3-5,8-9,11-14H,1-2,6-7,10,15-16H2,(H,21,22)
InChIKeyUOCCJIVJTQNVDW-UHFFFAOYSA-N
XLogP4.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
5-(4-phenylmethoxyphenoxy)pentanoic acid
CID 11695119
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
9-phenoxynonanoic acid
CID 15887638
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
9-(4-phenylphenoxy)nonanoic acid
CID 66874790
ethyl 11-(4-phenylmethoxyphenoxy)undecanoate
CID 21259961
9-(4-fluorophenoxy)nonanoic acid
CID 66875133
8-(4-phenylmethoxyphenoxy)octylazanium
CID 142204754
6-(4-aminophenoxy)hexanoic acid
CID 3028577
4-(7-carboxyheptoxy)benzoic acid
CID 54128004
1-(8-bromooctoxy)-4-phenylmethoxybenzene
CID 86051798

Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylmethoxyphenoxy)heptanoic acid?
The IUPAC name of 7-(4-phenylmethoxyphenoxy)heptanoic acid (CID 66930866) is 7-(4-phenylmethoxyphenoxy)heptanoic acid.
What is the SMILES notation for 7-(4-phenylmethoxyphenoxy)heptanoic acid?
The canonical SMILES for 7-(4-phenylmethoxyphenoxy)heptanoic acid is O=C(O)CCCCCCOc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 7-(4-phenylmethoxyphenoxy)heptanoic acid?
The InChIKey is UOCCJIVJTQNVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c21-20(22)10-6-1-2-7-15-23-18-11-13-19(14-12-18)24-16-17-8-4-3-5-9-17/h3-5,8-9,11-14H,1-2,6-7,10,15-16H2,(H,21,22).
What are the key properties of 7-(4-phenylmethoxyphenoxy)heptanoic acid?
7-(4-phenylmethoxyphenoxy)heptanoic acid has a molecular weight of 328.41 g/mol, XLogP of 4.68, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylmethoxyphenoxy)heptanoic acid is sourced from PubChem (CID 66930866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).