1-phenyl-1,2,3,8a-tetrahydronaphthalene

C16H16 — CID 13301822

IUPAC1-phenyl-1,2,3,8a-tetrahydronaphthalene
SMILESC1=CC2=CCCC(c3ccccc3)C2C=C1
InChIInChI=1S/C16H16/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-5,7-11,15-16H,6,12H2
InChIKeyWXHZVWWOQHBWHE-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.23
Rot. Bonds1

About 1-phenyl-1,2,3,8a-tetrahydronaphthalene

1-phenyl-1,2,3,8a-tetrahydronaphthalene (PubChem CID 13301822) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-phenyl-1,2,3,8a-tetrahydronaphthalene.

Molecular Properties

Compound Name1-phenyl-1,2,3,8a-tetrahydronaphthalene
PubChem CID13301822
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name1-phenyl-1,2,3,8a-tetrahydronaphthalene
SMILESC1=CC2=CCCC(c3ccccc3)C2C=C1
InChIInChI=1S/C16H16/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-5,7-11,15-16H,6,12H2
InChIKeyWXHZVWWOQHBWHE-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1,2,3,8a-tetrahydronaphthalene?
The IUPAC name of 1-phenyl-1,2,3,8a-tetrahydronaphthalene (CID 13301822) is 1-phenyl-1,2,3,8a-tetrahydronaphthalene.
What is the SMILES notation for 1-phenyl-1,2,3,8a-tetrahydronaphthalene?
The canonical SMILES for 1-phenyl-1,2,3,8a-tetrahydronaphthalene is C1=CC2=CCCC(c3ccccc3)C2C=C1.
What is the InChIKey of 1-phenyl-1,2,3,8a-tetrahydronaphthalene?
The InChIKey is WXHZVWWOQHBWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-5,7-11,15-16H,6,12H2.
What are the key properties of 1-phenyl-1,2,3,8a-tetrahydronaphthalene?
1-phenyl-1,2,3,8a-tetrahydronaphthalene has a molecular weight of 208.30 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1,2,3,8a-tetrahydronaphthalene is sourced from PubChem (CID 13301822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).