1-[4-(methoxymethyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid

C23H28O3 — CID 67876279

IUPAC1-[4-(methoxymethyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid
SMILESCOCc1ccc(-c2c(C(=O)O)ccc3c2C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C23H28O3/c1-22(2)12-13-23(3,4)20-18(22)11-10-17(21(24)25)19(20)16-8-6-15(7-9-16)14-26-5/h6-11H,12-14H2,1-5H3,(H,24,25)
InChIKeyVZGGRBCDRPIDBP-UHFFFAOYSA-N
MW352.47 g/mol
LogP5.55
Rot. Bonds4

About 1-[4-(methoxymethyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid

1-[4-(methoxymethyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid (PubChem CID 67876279) has the molecular formula C23H28O3 and a molecular weight of 352.47 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(methoxymethyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid
PubChem CID67876279
Molecular FormulaC23H28O3
Molecular Weight352.47 g/mol
Exact Mass352.20
IUPAC Name1-[4-(methoxymethyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid
SMILESCOCc1ccc(-c2c(C(=O)O)ccc3c2C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C23H28O3/c1-22(2)12-13-23(3,4)20-18(22)11-10-17(21(24)25)19(20)16-8-6-15(7-9-16)14-26-5/h6-11H,12-14H2,1-5H3,(H,24,25)
InChIKeyVZGGRBCDRPIDBP-UHFFFAOYSA-N
XLogP5.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.47
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 1-[4-(methoxymethyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid (CID 67876279) is 1-[4-(methoxymethyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-[4-(methoxymethyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 1-[4-(methoxymethyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid is COCc1ccc(-c2c(C(=O)O)ccc3c2C(C)(C)CCC3(C)C)cc1.
What is the InChIKey of 1-[4-(methoxymethyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid?
The InChIKey is VZGGRBCDRPIDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O3/c1-22(2)12-13-23(3,4)20-18(22)11-10-17(21(24)25)19(20)16-8-6-15(7-9-16)14-26-5/h6-11H,12-14H2,1-5H3,(H,24,25).
What are the key properties of 1-[4-(methoxymethyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid?
1-[4-(methoxymethyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid has a molecular weight of 352.47 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 67876279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).