(1R)-1-[4-fluoro-2-[(3Z)-penta-1,3-dien-2-yl]phenoxy]-2-methyl-1,2,3,4-tetrahydronaphthalene

C22H23FO — CID 143950505

IUPAC(1R)-1-[4-fluoro-2-[(3Z)-penta-1,3-dien-2-yl]phenoxy]-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESC=C(/C=C\C)c1cc(F)ccc1O[C@H]1c2ccccc2CCC1C
InChIInChI=1S/C22H23FO/c1-4-7-15(2)20-14-18(23)12-13-21(20)24-22-16(3)10-11-17-8-5-6-9-19(17)22/h4-9,12-14,16,22H,2,10-11H2,1,3H3/b7-4-/t16?,22-/m1/s1
InChIKeyGPXNOKXPYITNPH-ARCRHQQTSA-N
MW322.42 g/mol
LogP6.12
Rot. Bonds4

About (1R)-1-[4-fluoro-2-[(3Z)-penta-1,3-dien-2-yl]phenoxy]-2-methyl-1,2,3,4-tetrahydronaphthalene

(1R)-1-[4-fluoro-2-[(3Z)-penta-1,3-dien-2-yl]phenoxy]-2-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 143950505) has the molecular formula C22H23FO and a molecular weight of 322.42 g/mol. Its IUPAC name is (1R)-1-[4-fluoro-2-[(3Z)-penta-1,3-dien-2-yl]phenoxy]-2-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R)-1-[4-fluoro-2-[(3Z)-penta-1,3-dien-2-yl]phenoxy]-2-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID143950505
Molecular FormulaC22H23FO
Molecular Weight322.42 g/mol
Exact Mass322.17
IUPAC Name(1R)-1-[4-fluoro-2-[(3Z)-penta-1,3-dien-2-yl]phenoxy]-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESC=C(/C=C\C)c1cc(F)ccc1O[C@H]1c2ccccc2CCC1C
InChIInChI=1S/C22H23FO/c1-4-7-15(2)20-14-18(23)12-13-21(20)24-22-16(3)10-11-17-8-5-6-9-19(17)22/h4-9,12-14,16,22H,2,10-11H2,1,3H3/b7-4-/t16?,22-/m1/s1
InChIKeyGPXNOKXPYITNPH-ARCRHQQTSA-N
XLogP6.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.42
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-fluoro-2-[(3Z)-penta-1,3-dien-2-yl]phenoxy]-2-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R)-1-[4-fluoro-2-[(3Z)-penta-1,3-dien-2-yl]phenoxy]-2-methyl-1,2,3,4-tetrahydronaphthalene (CID 143950505) is (1R)-1-[4-fluoro-2-[(3Z)-penta-1,3-dien-2-yl]phenoxy]-2-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R)-1-[4-fluoro-2-[(3Z)-penta-1,3-dien-2-yl]phenoxy]-2-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R)-1-[4-fluoro-2-[(3Z)-penta-1,3-dien-2-yl]phenoxy]-2-methyl-1,2,3,4-tetrahydronaphthalene is C=C(/C=C\C)c1cc(F)ccc1O[C@H]1c2ccccc2CCC1C.
What is the InChIKey of (1R)-1-[4-fluoro-2-[(3Z)-penta-1,3-dien-2-yl]phenoxy]-2-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is GPXNOKXPYITNPH-ARCRHQQTSA-N. The full InChI is InChI=1S/C22H23FO/c1-4-7-15(2)20-14-18(23)12-13-21(20)24-22-16(3)10-11-17-8-5-6-9-19(17)22/h4-9,12-14,16,22H,2,10-11H2,1,3H3/b7-4-/t16?,22-/m1/s1.
What are the key properties of (1R)-1-[4-fluoro-2-[(3Z)-penta-1,3-dien-2-yl]phenoxy]-2-methyl-1,2,3,4-tetrahydronaphthalene?
(1R)-1-[4-fluoro-2-[(3Z)-penta-1,3-dien-2-yl]phenoxy]-2-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 322.42 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-fluoro-2-[(3Z)-penta-1,3-dien-2-yl]phenoxy]-2-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 143950505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).