2,4-dimethoxy-6-phenylmethoxybenzoic acid

C16H16O5 — CID 70481203

IUPAC2,4-dimethoxy-6-phenylmethoxybenzoic acid
SMILESCOc1cc(OC)c(C(=O)O)c(OCc2ccccc2)c1
InChIInChI=1S/C16H16O5/c1-19-12-8-13(20-2)15(16(17)18)14(9-12)21-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyTXWSSNZBPALBMO-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.98
Rot. Bonds6

About 2,4-dimethoxy-6-phenylmethoxybenzoic acid

2,4-dimethoxy-6-phenylmethoxybenzoic acid (PubChem CID 70481203) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2,4-dimethoxy-6-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name2,4-dimethoxy-6-phenylmethoxybenzoic acid
PubChem CID70481203
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name2,4-dimethoxy-6-phenylmethoxybenzoic acid
SMILESCOc1cc(OC)c(C(=O)O)c(OCc2ccccc2)c1
InChIInChI=1S/C16H16O5/c1-19-12-8-13(20-2)15(16(17)18)14(9-12)21-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyTXWSSNZBPALBMO-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

2,4-dihydroperoxy-6-phenylmethoxybenzoic acid
CID 166486054
(4-phenylmethoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513508
3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid
CID 54035812
1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone
CID 102233436
1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone
CID 139365460
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264
[2-(3-bromopropoxy)-4-methoxy-6-phenylmethoxyphenyl]-(4-phenylmethoxyphenyl)methanone
CID 71455011
(3-chlorophenyl)methyl 2-[(3-chlorophenyl)methoxy]-4,6-dimethoxybenzoate
CID 162354080
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
benzyl 2-(2-amino-3-phenylpropoxy)-4,6-dimethoxybenzoate;hydrochloride
CID 175481443
2-methoxy-6-phenylmethoxy-4-(trifluoromethyl)benzamide
CID 58062859
4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
CID 141015234

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-phenylmethoxybenzoic acid?
The IUPAC name of 2,4-dimethoxy-6-phenylmethoxybenzoic acid (CID 70481203) is 2,4-dimethoxy-6-phenylmethoxybenzoic acid.
What is the SMILES notation for 2,4-dimethoxy-6-phenylmethoxybenzoic acid?
The canonical SMILES for 2,4-dimethoxy-6-phenylmethoxybenzoic acid is COc1cc(OC)c(C(=O)O)c(OCc2ccccc2)c1.
What is the InChIKey of 2,4-dimethoxy-6-phenylmethoxybenzoic acid?
The InChIKey is TXWSSNZBPALBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-19-12-8-13(20-2)15(16(17)18)14(9-12)21-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 2,4-dimethoxy-6-phenylmethoxybenzoic acid?
2,4-dimethoxy-6-phenylmethoxybenzoic 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 2,4-dimethoxy-6-phenylmethoxybenzoic acid is sourced from PubChem (CID 70481203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).