5-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-7-prop-2-ynyl-2,3-dihydronaphthalene

C24H27FO — CID 87992522

IUPAC5-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-7-prop-2-ynyl-2,3-dihydronaphthalene
SMILESC#CCc1cc(OCc2ccc(F)cc2)c2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H27FO/c1-6-7-18-14-20-22(24(4,5)13-12-23(20,2)3)21(15-18)26-16-17-8-10-19(25)11-9-17/h1,8-11,14-15H,7,12-13,16H2,2-5H3
InChIKeyULFORZGMMQMLHF-UHFFFAOYSA-N
MW350.48 g/mol
LogP5.93
Rot. Bonds4

About 5-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-7-prop-2-ynyl-2,3-dihydronaphthalene

5-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-7-prop-2-ynyl-2,3-dihydronaphthalene (PubChem CID 87992522) has the molecular formula C24H27FO and a molecular weight of 350.48 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-7-prop-2-ynyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-7-prop-2-ynyl-2,3-dihydronaphthalene
PubChem CID87992522
Molecular FormulaC24H27FO
Molecular Weight350.48 g/mol
Exact Mass350.20
IUPAC Name5-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-7-prop-2-ynyl-2,3-dihydronaphthalene
SMILESC#CCc1cc(OCc2ccc(F)cc2)c2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H27FO/c1-6-7-18-14-20-22(24(4,5)13-12-23(20,2)3)21(15-18)26-16-17-8-10-19(25)11-9-17/h1,8-11,14-15H,7,12-13,16H2,2-5H3
InChIKeyULFORZGMMQMLHF-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.48
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-7-prop-2-ynyl-2,3-dihydronaphthalene?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-7-prop-2-ynyl-2,3-dihydronaphthalene (CID 87992522) is 5-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-7-prop-2-ynyl-2,3-dihydronaphthalene.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-7-prop-2-ynyl-2,3-dihydronaphthalene?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-7-prop-2-ynyl-2,3-dihydronaphthalene is C#CCc1cc(OCc2ccc(F)cc2)c2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-7-prop-2-ynyl-2,3-dihydronaphthalene?
The InChIKey is ULFORZGMMQMLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FO/c1-6-7-18-14-20-22(24(4,5)13-12-23(20,2)3)21(15-18)26-16-17-8-10-19(25)11-9-17/h1,8-11,14-15H,7,12-13,16H2,2-5H3.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-7-prop-2-ynyl-2,3-dihydronaphthalene?
5-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-7-prop-2-ynyl-2,3-dihydronaphthalene has a molecular weight of 350.48 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-1,1,4,4-tetramethyl-7-prop-2-ynyl-2,3-dihydronaphthalene is sourced from PubChem (CID 87992522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).