[8-(1,3-dioxan-2-yl)naphthalen-1-yl]-phenylmethanone

C21H18O3 — CID 10829354

IUPAC[8-(1,3-dioxan-2-yl)naphthalen-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc2cccc(C3OCCCO3)c12
InChIInChI=1S/C21H18O3/c22-20(16-7-2-1-3-8-16)17-11-4-9-15-10-5-12-18(19(15)17)21-23-13-6-14-24-21/h1-5,7-12,21H,6,13-14H2
InChIKeyBUKCUPRQOPAXIG-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.51
Rot. Bonds3

About [8-(1,3-dioxan-2-yl)naphthalen-1-yl]-phenylmethanone

[8-(1,3-dioxan-2-yl)naphthalen-1-yl]-phenylmethanone (PubChem CID 10829354) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is [8-(1,3-dioxan-2-yl)naphthalen-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[8-(1,3-dioxan-2-yl)naphthalen-1-yl]-phenylmethanone
PubChem CID10829354
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name[8-(1,3-dioxan-2-yl)naphthalen-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc2cccc(C3OCCCO3)c12
InChIInChI=1S/C21H18O3/c22-20(16-7-2-1-3-8-16)17-11-4-9-15-10-5-12-18(19(15)17)21-23-13-6-14-24-21/h1-5,7-12,21H,6,13-14H2
InChIKeyBUKCUPRQOPAXIG-UHFFFAOYSA-N
XLogP4.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [8-(1,3-dioxan-2-yl)naphthalen-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [8-(1,3-dioxan-2-yl)naphthalen-1-yl]-phenylmethanone?
The IUPAC name of [8-(1,3-dioxan-2-yl)naphthalen-1-yl]-phenylmethanone (CID 10829354) is [8-(1,3-dioxan-2-yl)naphthalen-1-yl]-phenylmethanone.
What is the SMILES notation for [8-(1,3-dioxan-2-yl)naphthalen-1-yl]-phenylmethanone?
The canonical SMILES for [8-(1,3-dioxan-2-yl)naphthalen-1-yl]-phenylmethanone is O=C(c1ccccc1)c1cccc2cccc(C3OCCCO3)c12.
What is the InChIKey of [8-(1,3-dioxan-2-yl)naphthalen-1-yl]-phenylmethanone?
The InChIKey is BUKCUPRQOPAXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c22-20(16-7-2-1-3-8-16)17-11-4-9-15-10-5-12-18(19(15)17)21-23-13-6-14-24-21/h1-5,7-12,21H,6,13-14H2.
What are the key properties of [8-(1,3-dioxan-2-yl)naphthalen-1-yl]-phenylmethanone?
[8-(1,3-dioxan-2-yl)naphthalen-1-yl]-phenylmethanone has a molecular weight of 318.37 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(1,3-dioxan-2-yl)naphthalen-1-yl]-phenylmethanone is sourced from PubChem (CID 10829354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).