(1R,4R)-1-phenyl-4-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene

C24H24 — CID 100971354

IUPAC(1R,4R)-1-phenyl-4-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(c1ccccc1)[C@H]1CC[C@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C24H24/c1-18(19-10-4-2-5-11-19)21-16-17-22(20-12-6-3-7-13-20)24-15-9-8-14-23(21)24/h2-15,18,21-22H,16-17H2,1H3/t18?,21-,22-/m1/s1
InChIKeyGJJWHYDGEZUFOW-IPKCRJEZSA-N
MW312.46 g/mol
LogP6.50
Rot. Bonds3

About (1R,4R)-1-phenyl-4-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene

(1R,4R)-1-phenyl-4-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 100971354) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is (1R,4R)-1-phenyl-4-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R,4R)-1-phenyl-4-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID100971354
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name(1R,4R)-1-phenyl-4-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(c1ccccc1)[C@H]1CC[C@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C24H24/c1-18(19-10-4-2-5-11-19)21-16-17-22(20-12-6-3-7-13-20)24-15-9-8-14-23(21)24/h2-15,18,21-22H,16-17H2,1H3/t18?,21-,22-/m1/s1
InChIKeyGJJWHYDGEZUFOW-IPKCRJEZSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-1-phenyl-4-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R,4R)-1-phenyl-4-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene (CID 100971354) is (1R,4R)-1-phenyl-4-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R,4R)-1-phenyl-4-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R,4R)-1-phenyl-4-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene is CC(c1ccccc1)[C@H]1CC[C@H](c2ccccc2)c2ccccc21.
What is the InChIKey of (1R,4R)-1-phenyl-4-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is GJJWHYDGEZUFOW-IPKCRJEZSA-N. The full InChI is InChI=1S/C24H24/c1-18(19-10-4-2-5-11-19)21-16-17-22(20-12-6-3-7-13-20)24-15-9-8-14-23(21)24/h2-15,18,21-22H,16-17H2,1H3/t18?,21-,22-/m1/s1.
What are the key properties of (1R,4R)-1-phenyl-4-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene?
(1R,4R)-1-phenyl-4-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 312.46 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-1-phenyl-4-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 100971354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).