4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid

C16H16O5 — CID 43238029

IUPAC4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid
SMILESCOc1cc(OC)cc(OCc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C16H16O5/c1-19-13-7-14(20-2)9-15(8-13)21-10-11-3-5-12(6-4-11)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyBCIZSSSHHGSXIO-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.98
Rot. Bonds6

About 4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid

4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid (PubChem CID 43238029) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid
PubChem CID43238029
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid
SMILESCOc1cc(OC)cc(OCc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C16H16O5/c1-19-13-7-14(20-2)9-15(8-13)21-10-11-3-5-12(6-4-11)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyBCIZSSSHHGSXIO-UHFFFAOYSA-N
XLogP2.98
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-[(4-carboxyphenyl)methoxy]-5-[(4-formyloxyphenyl)methoxy]phenoxy]methyl]benzoic acid
CID 58868231
4-[2-[3-[2-(4-carboxyphenyl)ethyl]-5-methoxyphenyl]ethyl]benzoic acid
CID 171715372
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
4-[[3-[[3-[[4-bis[4-[[3,5-bis[[3,5-bis[(4-carboxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]phosphanylphenoxy]methyl]-5-[[3,5-bis[(4-carboxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxyphenyl)methoxy]phenoxy]methyl]benzoic acid
CID 102588787
ethane;4-(phenoxymethyl)benzoic acid;propane
CID 144638943
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325
4-[[4-(2-oxopropyl)phenoxy]methyl]benzoic acid
CID 115493805
4-[(3,5-dimethoxyphenoxy)methyl]aniline
CID 43589819
4-phenylmethoxybenzoic acid
CID 68896574
1-[(4-iodophenyl)methoxy]-3,5-dimethoxybenzene
CID 65490326
4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
CID 24689583
3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid
CID 21250893

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid?
The IUPAC name of 4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid (CID 43238029) is 4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid.
What is the SMILES notation for 4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid?
The canonical SMILES for 4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid is COc1cc(OC)cc(OCc2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid?
The InChIKey is BCIZSSSHHGSXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-19-13-7-14(20-2)9-15(8-13)21-10-11-3-5-12(6-4-11)16(17)18/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid?
4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid has a molecular weight of 288.30 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid is sourced from PubChem (CID 43238029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).