4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid

C25H20O4 — CID 68534678

IUPAC4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid
SMILESCOc1ccc2c(Oc3ccc(C(=O)O)cc3)c(-c3ccccc3)c(C)cc2c1
InChIInChI=1S/C25H20O4/c1-16-14-19-15-21(28-2)12-13-22(19)24(23(16)17-6-4-3-5-7-17)29-20-10-8-18(9-11-20)25(26)27/h3-15H,1-2H3,(H,26,27)
InChIKeyYJHDWDVBGUFCBM-UHFFFAOYSA-N
MW384.43 g/mol
LogP6.31
Rot. Bonds5

About 4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid

4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid (PubChem CID 68534678) has the molecular formula C25H20O4 and a molecular weight of 384.43 g/mol. Its IUPAC name is 4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid.

Molecular Properties

Compound Name4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid
PubChem CID68534678
Molecular FormulaC25H20O4
Molecular Weight384.43 g/mol
Exact Mass384.14
IUPAC Name4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid
SMILESCOc1ccc2c(Oc3ccc(C(=O)O)cc3)c(-c3ccccc3)c(C)cc2c1
InChIInChI=1S/C25H20O4/c1-16-14-19-15-21(28-2)12-13-22(19)24(23(16)17-6-4-3-5-7-17)29-20-10-8-18(9-11-20)25(26)27/h3-15H,1-2H3,(H,26,27)
InChIKeyYJHDWDVBGUFCBM-UHFFFAOYSA-N
XLogP6.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid?
The IUPAC name of 4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid (CID 68534678) is 4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid.
What is the SMILES notation for 4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid?
The canonical SMILES for 4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid is COc1ccc2c(Oc3ccc(C(=O)O)cc3)c(-c3ccccc3)c(C)cc2c1.
What is the InChIKey of 4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid?
The InChIKey is YJHDWDVBGUFCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O4/c1-16-14-19-15-21(28-2)12-13-22(19)24(23(16)17-6-4-3-5-7-17)29-20-10-8-18(9-11-20)25(26)27/h3-15H,1-2H3,(H,26,27).
What are the key properties of 4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid?
4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid has a molecular weight of 384.43 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid is sourced from PubChem (CID 68534678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).