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

C33H31FO4 — CID 10346250

IUPAC6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2c(OCc3ccc(F)cc3)cc(C(=O)c3ccc4cc(C(=O)O)ccc4c3)cc21
InChIInChI=1S/C33H31FO4/c1-32(2)13-14-33(3,4)29-27(32)17-25(18-28(29)38-19-20-5-11-26(34)12-6-20)30(35)23-9-7-22-16-24(31(36)37)10-8-21(22)15-23/h5-12,15-18H,13-14,19H2,1-4H3,(H,36,37)
InChIKeyLEKNLFGNEXRVFJ-UHFFFAOYSA-N
MW510.61 g/mol
LogP7.84
Rot. Bonds6

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

6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylic acid (PubChem CID 10346250) has the molecular formula C33H31FO4 and a molecular weight of 510.61 g/mol. Its IUPAC name is 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylic acid
PubChem CID10346250
Molecular FormulaC33H31FO4
Molecular Weight510.61 g/mol
Exact Mass510.22
IUPAC Name6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2c(OCc3ccc(F)cc3)cc(C(=O)c3ccc4cc(C(=O)O)ccc4c3)cc21
InChIInChI=1S/C33H31FO4/c1-32(2)13-14-33(3,4)29-27(32)17-25(18-28(29)38-19-20-5-11-26(34)12-6-20)30(35)23-9-7-22-16-24(31(36)37)10-8-21(22)15-23/h5-12,15-18H,13-14,19H2,1-4H3,(H,36,37)
InChIKeyLEKNLFGNEXRVFJ-UHFFFAOYSA-N
XLogP7.84
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.61
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Flocoumafen
CID 54698175
Cp-195543
CID 9823886
C.I. Vat Green 1
CID 31410
Nsc50155
CID 242043
Acrylic acid derivative, 14
CID 10136146
Acrylic acid derivative, 14
CID 10136146
Acrylic acid derivative, 16
CID 10273914
Acrylic acid derivative, 16
CID 10273914
4'-(4-Hydroxybutoxy)-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)biphenyl-4-carboxylic acid
CID 16661643
4'-(3-Hydroxypropoxy)-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)biphenyl-4-carboxylic acid
CID 16661644
4'-(4-Hydroxybutoxy)-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)biphenyl-4-carboxylic acid
CID 16661643
3-[(1-Naphthyloxy)methyl]benzoic acid
CID 890753

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylic acid?
The IUPAC name of 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylic acid (CID 10346250) is 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylic acid is CC1(C)CCC(C)(C)c2c(OCc3ccc(F)cc3)cc(C(=O)c3ccc4cc(C(=O)O)ccc4c3)cc21.
What is the InChIKey of 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylic acid?
The InChIKey is LEKNLFGNEXRVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FO4/c1-32(2)13-14-33(3,4)29-27(32)17-25(18-28(29)38-19-20-5-11-26(34)12-6-20)30(35)23-9-7-22-16-24(31(36)37)10-8-21(22)15-23/h5-12,15-18H,13-14,19H2,1-4H3,(H,36,37).
What are the key properties of 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylic acid?
6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylic acid has a molecular weight of 510.61 g/mol, XLogP of 7.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-fluorophenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 10346250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).