2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid

C18H16O4 — CID 163379686

IUPAC2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
SMILESCc1oc2c(C)cc(OCc3ccccc3)cc2c1C(=O)O
InChIInChI=1S/C18H16O4/c1-11-8-14(21-10-13-6-4-3-5-7-13)9-15-16(18(19)20)12(2)22-17(11)15/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyZRJQEOPDJVOQJO-UHFFFAOYSA-N
MW296.32 g/mol
LogP4.33
Rot. Bonds4

About 2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid

2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid (PubChem CID 163379686) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
PubChem CID163379686
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
SMILESCc1oc2c(C)cc(OCc3ccccc3)cc2c1C(=O)O
InChIInChI=1S/C18H16O4/c1-11-8-14(21-10-13-6-4-3-5-7-13)9-15-16(18(19)20)12(2)22-17(11)15/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyZRJQEOPDJVOQJO-UHFFFAOYSA-N
XLogP4.33
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-cyano-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
CID 163379743
N-(4,4-difluoropyrrolidin-3-yl)-2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379533
5-[(3-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 979577
5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163379683
1,7-dimethyl-5-phenylmethoxyindole-2-carboxylic acid
CID 145364314
2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
CID 696231
2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 22241425
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497
ethane;2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 142024512
2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379631
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
5-[(4-bromophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid
CID 1185464

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid?
The IUPAC name of 2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid (CID 163379686) is 2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid is Cc1oc2c(C)cc(OCc3ccccc3)cc2c1C(=O)O.
What is the InChIKey of 2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid?
The InChIKey is ZRJQEOPDJVOQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-11-8-14(21-10-13-6-4-3-5-7-13)9-15-16(18(19)20)12(2)22-17(11)15/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of 2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid?
2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 163379686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).