methyl 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylate

C34H33FO4 — CID 69292514

IUPACmethyl 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(C(=O)c3cc(OCc4ccc(F)cc4)c4c(c3)C(C)(C)CCC4(C)C)ccc2c1
InChIInChI=1S/C34H33FO4/c1-33(2)14-15-34(3,4)30-28(33)18-26(19-29(30)39-20-21-6-12-27(35)13-7-21)31(36)24-10-8-23-17-25(32(37)38-5)11-9-22(23)16-24/h6-13,16-19H,14-15,20H2,1-5H3
InChIKeyLWPBNAWJMOIZME-UHFFFAOYSA-N
MW524.63 g/mol
LogP7.92
Rot. Bonds6

About methyl 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylate

methyl 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylate (PubChem CID 69292514) has the molecular formula C34H33FO4 and a molecular weight of 524.63 g/mol. Its IUPAC name is methyl 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylate
PubChem CID69292514
Molecular FormulaC34H33FO4
Molecular Weight524.63 g/mol
Exact Mass524.24
IUPAC Namemethyl 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(C(=O)c3cc(OCc4ccc(F)cc4)c4c(c3)C(C)(C)CCC4(C)C)ccc2c1
InChIInChI=1S/C34H33FO4/c1-33(2)14-15-34(3,4)30-28(33)18-26(19-29(30)39-20-21-6-12-27(35)13-7-21)31(36)24-10-8-23-17-25(32(37)38-5)11-9-22(23)16-24/h6-13,16-19H,14-15,20H2,1-5H3
InChIKeyLWPBNAWJMOIZME-UHFFFAOYSA-N
XLogP7.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylate?
The IUPAC name of methyl 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylate (CID 69292514) is methyl 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylate?
The canonical SMILES for methyl 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylate is COC(=O)c1ccc2cc(C(=O)c3cc(OCc4ccc(F)cc4)c4c(c3)C(C)(C)CCC4(C)C)ccc2c1.
What is the InChIKey of methyl 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylate?
The InChIKey is LWPBNAWJMOIZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FO4/c1-33(2)14-15-34(3,4)30-28(33)18-26(19-29(30)39-20-21-6-12-27(35)13-7-21)31(36)24-10-8-23-17-25(32(37)38-5)11-9-22(23)16-24/h6-13,16-19H,14-15,20H2,1-5H3.
What are the key properties of methyl 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylate?
methyl 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylate has a molecular weight of 524.63 g/mol, XLogP of 7.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylate is sourced from PubChem (CID 69292514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).