2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one

C18H20O2 — CID 14125672

IUPAC2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
SMILESCC(C)(C)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O2/c1-18(2,3)17(19)15-9-11-16(12-10-15)20-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
InChIKeyUXNHWHTXTODKPR-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.49
Rot. Bonds4

About 2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one

2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one (PubChem CID 14125672) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
PubChem CID14125672
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
SMILESCC(C)(C)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O2/c1-18(2,3)17(19)15-9-11-16(12-10-15)20-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
InChIKeyUXNHWHTXTODKPR-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenylmethoxybenzoic acid
CID 68896574
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
4-phenylmethoxybenzoyl fluoride
CID 154719359
2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one
CID 155310115
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
N-methyl-4-phenylmethoxybenzamide
CID 2996745
(3R)-3-hydroxy-2,2-dimethyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 96839766
(2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid
CID 131871320
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
2-amino-1-(4-phenylmethoxyphenyl)ethanone
CID 14579463
2-chloro-1-(4-phenylmethoxyphenyl)ethanone
CID 14579462

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one (CID 14125672) is 2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one is CC(C)(C)C(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one?
The InChIKey is UXNHWHTXTODKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-18(2,3)17(19)15-9-11-16(12-10-15)20-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one?
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one has a molecular weight of 268.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one is sourced from PubChem (CID 14125672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).