(8-benzylnaphthalen-1-yl)-phenylmethanone

C24H18O — CID 10567854

IUPAC(8-benzylnaphthalen-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc2cccc(Cc3ccccc3)c12
InChIInChI=1S/C24H18O/c25-24(20-11-5-2-6-12-20)22-16-8-14-19-13-7-15-21(23(19)22)17-18-9-3-1-4-10-18/h1-16H,17H2
InChIKeyPWQDJNCASAMDLL-UHFFFAOYSA-N
MW322.41 g/mol
LogP5.66
Rot. Bonds4

About (8-benzylnaphthalen-1-yl)-phenylmethanone

(8-benzylnaphthalen-1-yl)-phenylmethanone (PubChem CID 10567854) has the molecular formula C24H18O and a molecular weight of 322.41 g/mol. Its IUPAC name is (8-benzylnaphthalen-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(8-benzylnaphthalen-1-yl)-phenylmethanone
PubChem CID10567854
Molecular FormulaC24H18O
Molecular Weight322.41 g/mol
Exact Mass322.14
IUPAC Name(8-benzylnaphthalen-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc2cccc(Cc3ccccc3)c12
InChIInChI=1S/C24H18O/c25-24(20-11-5-2-6-12-20)22-16-8-14-19-13-7-15-21(23(19)22)17-18-9-3-1-4-10-18/h1-16H,17H2
InChIKeyPWQDJNCASAMDLL-UHFFFAOYSA-N
XLogP5.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Anthraquinone
CID 6780
9,10-Phenanthrenedione
CID 6763
Anthrone
CID 7018
Benzanthrone
CID 6697
1-Naphthaldehyde
CID 6195
2-Acetylnaphthalene
CID 7122
Miltirone
CID 160142
2-Methylanthraquinone
CID 6773
2-Ethylanthraquinone
CID 6772
Phenalenone
CID 11050
1-Acenaphthenone
CID 75229
1-Tetralone
CID 10724

Frequently Asked Questions

What is the IUPAC name of (8-benzylnaphthalen-1-yl)-phenylmethanone?
The IUPAC name of (8-benzylnaphthalen-1-yl)-phenylmethanone (CID 10567854) is (8-benzylnaphthalen-1-yl)-phenylmethanone.
What is the SMILES notation for (8-benzylnaphthalen-1-yl)-phenylmethanone?
The canonical SMILES for (8-benzylnaphthalen-1-yl)-phenylmethanone is O=C(c1ccccc1)c1cccc2cccc(Cc3ccccc3)c12.
What is the InChIKey of (8-benzylnaphthalen-1-yl)-phenylmethanone?
The InChIKey is PWQDJNCASAMDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O/c25-24(20-11-5-2-6-12-20)22-16-8-14-19-13-7-15-21(23(19)22)17-18-9-3-1-4-10-18/h1-16H,17H2.
What are the key properties of (8-benzylnaphthalen-1-yl)-phenylmethanone?
(8-benzylnaphthalen-1-yl)-phenylmethanone has a molecular weight of 322.41 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8-benzylnaphthalen-1-yl)-phenylmethanone is sourced from PubChem (CID 10567854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).