1-[2-[4-(dimethoxymethyl)phenyl]phenyl]propan-1-one

C18H20O3 — CID 174612586

IUPAC1-[2-[4-(dimethoxymethyl)phenyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1-c1ccc(C(OC)OC)cc1
InChIInChI=1S/C18H20O3/c1-4-17(19)16-8-6-5-7-15(16)13-9-11-14(12-10-13)18(20-2)21-3/h5-12,18H,4H2,1-3H3
InChIKeyBFLAOVNVUWBSAP-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.24
Rot. Bonds6

About 1-[2-[4-(dimethoxymethyl)phenyl]phenyl]propan-1-one

1-[2-[4-(dimethoxymethyl)phenyl]phenyl]propan-1-one (PubChem CID 174612586) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-[4-(dimethoxymethyl)phenyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[4-(dimethoxymethyl)phenyl]phenyl]propan-1-one
PubChem CID174612586
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-[2-[4-(dimethoxymethyl)phenyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1-c1ccc(C(OC)OC)cc1
InChIInChI=1S/C18H20O3/c1-4-17(19)16-8-6-5-7-15(16)13-9-11-14(12-10-13)18(20-2)21-3/h5-12,18H,4H2,1-3H3
InChIKeyBFLAOVNVUWBSAP-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-methylphenyl)phenyl]propan-1-one
CID 67873243
methyl 4-(2-propanoylphenyl)benzoate
CID 174354570
methyl 2-[4-[(2S)-2-bromo-2-[4-(2-methoxycarbonylphenyl)phenyl]ethyl]phenyl]benzoate
CID 98076714
2-(2-propanoylphenyl)benzoic acid
CID 15194783
ethyl 2-(4-propan-2-ylphenyl)benzoate
CID 59820247
1-(2,4-diphenylphenyl)propan-1-one
CID 151246876
5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole
CID 59263962
3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887239
tert-butyl 2-(4-pentan-3-ylphenyl)benzoate
CID 57014037
1-(2-phosphanylphenyl)propan-1-one
CID 143391077
1-[ethoxy(methoxy)methyl]-4-[2-(2-iodoethenyl)phenyl]benzene
CID 54031184
ethyl 2-(4-methylphenyl)benzoate
CID 10922668

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(dimethoxymethyl)phenyl]phenyl]propan-1-one?
The IUPAC name of 1-[2-[4-(dimethoxymethyl)phenyl]phenyl]propan-1-one (CID 174612586) is 1-[2-[4-(dimethoxymethyl)phenyl]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[4-(dimethoxymethyl)phenyl]phenyl]propan-1-one?
The canonical SMILES for 1-[2-[4-(dimethoxymethyl)phenyl]phenyl]propan-1-one is CCC(=O)c1ccccc1-c1ccc(C(OC)OC)cc1.
What is the InChIKey of 1-[2-[4-(dimethoxymethyl)phenyl]phenyl]propan-1-one?
The InChIKey is BFLAOVNVUWBSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-4-17(19)16-8-6-5-7-15(16)13-9-11-14(12-10-13)18(20-2)21-3/h5-12,18H,4H2,1-3H3.
What are the key properties of 1-[2-[4-(dimethoxymethyl)phenyl]phenyl]propan-1-one?
1-[2-[4-(dimethoxymethyl)phenyl]phenyl]propan-1-one has a molecular weight of 284.36 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(dimethoxymethyl)phenyl]phenyl]propan-1-one is sourced from PubChem (CID 174612586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).