1-phenylnaphthalene

C16H12 — CID 11795

IUPAC1-phenylnaphthalene
SMILESc1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C16H12/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-12H
InChIKeyIYDMICQAKLQHLA-UHFFFAOYSA-N
MW204.27 g/mol
LogP4.51
Rot. Bonds1

About 1-phenylnaphthalene

1-phenylnaphthalene (PubChem CID 11795) has the molecular formula C16H12 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-phenylnaphthalene.

Molecular Properties

Compound Name1-phenylnaphthalene
PubChem CID11795
Molecular FormulaC16H12
Molecular Weight204.27 g/mol
Exact Mass204.09
IUPAC Name1-phenylnaphthalene
SMILESc1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C16H12/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-12H
InChIKeyIYDMICQAKLQHLA-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Naphthalene
CID 931
Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
3-Methylcholanthrene
CID 1674
Tetralin
CID 8404
BENZ(a)ANTHRACENE
CID 5954
Benzo(E)Pyrene
CID 9128
Benzo(B)Fluoranthene
CID 9153
Fluoranthene
CID 9154

Frequently Asked Questions

What is the IUPAC name of 1-phenylnaphthalene?
The IUPAC name of 1-phenylnaphthalene (CID 11795) is 1-phenylnaphthalene.
What is the SMILES notation for 1-phenylnaphthalene?
The canonical SMILES for 1-phenylnaphthalene is c1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of 1-phenylnaphthalene?
The InChIKey is IYDMICQAKLQHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-12H.
What are the key properties of 1-phenylnaphthalene?
1-phenylnaphthalene has a molecular weight of 204.27 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylnaphthalene is sourced from PubChem (CID 11795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).