1-methylnaphthalene;stilbene

C25H22 — CID 173370087

IUPAC1-methylnaphthalene;stilbene
SMILESC(=Cc1ccccc1)c1ccccc1.Cc1cccc2ccccc12
InChIInChI=1S/C14H12.C11H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-9-5-4-7-10-6-2-3-8-11(9)10/h1-12H;2-8H,1H3
InChIKeyHXIVPWBGUFNTPP-UHFFFAOYSA-N
MW322.45 g/mol
LogP7.01
Rot. Bonds2

About 1-methylnaphthalene;stilbene

1-methylnaphthalene;stilbene (PubChem CID 173370087) has the molecular formula C25H22 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-methylnaphthalene;stilbene.

Molecular Properties

Compound Name1-methylnaphthalene;stilbene
PubChem CID173370087
Molecular FormulaC25H22
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Name1-methylnaphthalene;stilbene
SMILESC(=Cc1ccccc1)c1ccccc1.Cc1cccc2ccccc12
InChIInChI=1S/C14H12.C11H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-9-5-4-7-10-6-2-3-8-11(9)10/h1-12H;2-8H,1H3
InChIKeyHXIVPWBGUFNTPP-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;1-methylnaphthalene
CID 66808059
ethane;1-methylnaphthalene;toluene
CID 91013579
carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)
CID 158669660
acetylene;ethane;1-methylnaphthalene
CID 167495690
1-[2-[2-(2-phenylethenyl)phenyl]ethenyl]naphthalene
CID 71399192
1-methylnaphthalene;[(E)-pent-1-enyl]benzene;pentylbenzene
CID 159111653
1-methyl-4-(2-phenylethenyl)naphthalene
CID 4283155
ethane;methane;bis(1-methylnaphthalene);propane;toluene
CID 160954543
1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene
CID 139196261
methane;1-methylphenanthrene
CID 175001905
1-[3-(2-phenylethenyl)phenyl]naphthalene
CID 72533477
N-(2-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine
CID 89067942

Frequently Asked Questions

What is the IUPAC name of 1-methylnaphthalene;stilbene?
The IUPAC name of 1-methylnaphthalene;stilbene (CID 173370087) is 1-methylnaphthalene;stilbene.
What is the SMILES notation for 1-methylnaphthalene;stilbene?
The canonical SMILES for 1-methylnaphthalene;stilbene is C(=Cc1ccccc1)c1ccccc1.Cc1cccc2ccccc12.
What is the InChIKey of 1-methylnaphthalene;stilbene?
The InChIKey is HXIVPWBGUFNTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.C11H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-9-5-4-7-10-6-2-3-8-11(9)10/h1-12H;2-8H,1H3.
What are the key properties of 1-methylnaphthalene;stilbene?
1-methylnaphthalene;stilbene has a molecular weight of 322.45 g/mol, XLogP of 7.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylnaphthalene;stilbene is sourced from PubChem (CID 173370087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).