[3-[[8-[(3-benzoylphenoxy)methyl]naphthalen-1-yl]methoxy]phenyl]-phenylmethanone

C38H28O4 — CID 102370762

IUPAC[3-[[8-[(3-benzoylphenoxy)methyl]naphthalen-1-yl]methoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(OCc2cccc3cccc(COc4cccc(C(=O)c5ccccc5)c4)c23)c1
InChIInChI=1S/C38H28O4/c39-37(28-11-3-1-4-12-28)30-17-9-21-34(23-30)41-25-32-19-7-15-27-16-8-20-33(36(27)32)26-42-35-22-10-18-31(24-35)38(40)29-13-5-2-6-14-29/h1-24H,25-26H2
InChIKeySSDRUHCXLINURD-UHFFFAOYSA-N
MW548.64 g/mol
LogP8.46
Rot. Bonds10

About [3-[[8-[(3-benzoylphenoxy)methyl]naphthalen-1-yl]methoxy]phenyl]-phenylmethanone

[3-[[8-[(3-benzoylphenoxy)methyl]naphthalen-1-yl]methoxy]phenyl]-phenylmethanone (PubChem CID 102370762) has the molecular formula C38H28O4 and a molecular weight of 548.64 g/mol. Its IUPAC name is [3-[[8-[(3-benzoylphenoxy)methyl]naphthalen-1-yl]methoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-[[8-[(3-benzoylphenoxy)methyl]naphthalen-1-yl]methoxy]phenyl]-phenylmethanone
PubChem CID102370762
Molecular FormulaC38H28O4
Molecular Weight548.64 g/mol
Exact Mass548.20
IUPAC Name[3-[[8-[(3-benzoylphenoxy)methyl]naphthalen-1-yl]methoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(OCc2cccc3cccc(COc4cccc(C(=O)c5ccccc5)c4)c23)c1
InChIInChI=1S/C38H28O4/c39-37(28-11-3-1-4-12-28)30-17-9-21-34(23-30)41-25-32-19-7-15-27-16-8-20-33(36(27)32)26-42-35-22-10-18-31(24-35)38(40)29-13-5-2-6-14-29/h1-24H,25-26H2
InChIKeySSDRUHCXLINURD-UHFFFAOYSA-N
XLogP8.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.64
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-acetylphenoxy)methyl]benzoic acid
CID 43473132
anthracene;diphenylmethanone
CID 87408663
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
(3-hydroxy-5-phenylmethoxyphenyl)-phenylmethanone
CID 71119902
2-[2-[(3-iodophenoxy)methyl]phenyl]acetic acid
CID 113314320
methyl 2-[3-(3-hydroxybenzoyl)phenoxy]acetate
CID 14995071
furan-3-yl-(3-phenylmethoxyphenyl)methanone
CID 105099100
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
[3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]phenyl]-phenylmethanone
CID 71113242
[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 18956599
[3-[4-(quinolin-2-ylmethoxy)benzoyl]phenyl] acetate
CID 57179399

Frequently Asked Questions

What is the IUPAC name of [3-[[8-[(3-benzoylphenoxy)methyl]naphthalen-1-yl]methoxy]phenyl]-phenylmethanone?
The IUPAC name of [3-[[8-[(3-benzoylphenoxy)methyl]naphthalen-1-yl]methoxy]phenyl]-phenylmethanone (CID 102370762) is [3-[[8-[(3-benzoylphenoxy)methyl]naphthalen-1-yl]methoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [3-[[8-[(3-benzoylphenoxy)methyl]naphthalen-1-yl]methoxy]phenyl]-phenylmethanone?
The canonical SMILES for [3-[[8-[(3-benzoylphenoxy)methyl]naphthalen-1-yl]methoxy]phenyl]-phenylmethanone is O=C(c1ccccc1)c1cccc(OCc2cccc3cccc(COc4cccc(C(=O)c5ccccc5)c4)c23)c1.
What is the InChIKey of [3-[[8-[(3-benzoylphenoxy)methyl]naphthalen-1-yl]methoxy]phenyl]-phenylmethanone?
The InChIKey is SSDRUHCXLINURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28O4/c39-37(28-11-3-1-4-12-28)30-17-9-21-34(23-30)41-25-32-19-7-15-27-16-8-20-33(36(27)32)26-42-35-22-10-18-31(24-35)38(40)29-13-5-2-6-14-29/h1-24H,25-26H2.
What are the key properties of [3-[[8-[(3-benzoylphenoxy)methyl]naphthalen-1-yl]methoxy]phenyl]-phenylmethanone?
[3-[[8-[(3-benzoylphenoxy)methyl]naphthalen-1-yl]methoxy]phenyl]-phenylmethanone has a molecular weight of 548.64 g/mol, XLogP of 8.46, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[8-[(3-benzoylphenoxy)methyl]naphthalen-1-yl]methoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 102370762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).