4-(2-phenylmethoxyethoxy)benzoic acid

C16H16O4 — CID 43532261

IUPAC4-(2-phenylmethoxyethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCCOCc2ccccc2)cc1
InChIInChI=1S/C16H16O4/c17-16(18)14-6-8-15(9-7-14)20-11-10-19-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,17,18)
InChIKeyVYMRVIOOZGNXPL-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.98
Rot. Bonds7

About 4-(2-phenylmethoxyethoxy)benzoic acid

4-(2-phenylmethoxyethoxy)benzoic acid (PubChem CID 43532261) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(2-phenylmethoxyethoxy)benzoic acid.

Molecular Properties

Compound Name4-(2-phenylmethoxyethoxy)benzoic acid
PubChem CID43532261
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name4-(2-phenylmethoxyethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCCOCc2ccccc2)cc1
InChIInChI=1S/C16H16O4/c17-16(18)14-6-8-15(9-7-14)20-11-10-19-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,17,18)
InChIKeyVYMRVIOOZGNXPL-UHFFFAOYSA-N
XLogP2.98
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.98
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

4-(phenylmethoxymethoxy)benzoic acid
CID 102939337
4-phenylmethoxybenzoic acid
CID 68896574
4-[2-[(2-methylphenyl)methoxy]ethoxy]benzoic acid
CID 143158497
1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone
CID 21110216
4-(2-phenylethoxymethyl)benzoic acid
CID 28994595
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
4-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 20984535
[4-(2-phenylmethoxyethoxy)phenyl]boronic acid
CID 23134166
4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid
CID 102343472
1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene
CID 121473019

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylmethoxyethoxy)benzoic acid?
The IUPAC name of 4-(2-phenylmethoxyethoxy)benzoic acid (CID 43532261) is 4-(2-phenylmethoxyethoxy)benzoic acid.
What is the SMILES notation for 4-(2-phenylmethoxyethoxy)benzoic acid?
The canonical SMILES for 4-(2-phenylmethoxyethoxy)benzoic acid is O=C(O)c1ccc(OCCOCc2ccccc2)cc1.
What is the InChIKey of 4-(2-phenylmethoxyethoxy)benzoic acid?
The InChIKey is VYMRVIOOZGNXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c17-16(18)14-6-8-15(9-7-14)20-11-10-19-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,17,18).
What are the key properties of 4-(2-phenylmethoxyethoxy)benzoic acid?
4-(2-phenylmethoxyethoxy)benzoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylmethoxyethoxy)benzoic acid is sourced from PubChem (CID 43532261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).