3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanal

C18H20O2 — CID 143671323

IUPAC3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanal
SMILESCOc1ccccc1C(c1ccccc1)C(C)(C)C=O
InChIInChI=1S/C18H20O2/c1-18(2,13-19)17(14-9-5-4-6-10-14)15-11-7-8-12-16(15)20-3/h4-13,17H,1-3H3
InChIKeyPZZYNXRGMJJTLO-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.05
Rot. Bonds5

About 3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanal

3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanal (PubChem CID 143671323) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanal.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanal
PubChem CID143671323
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanal
SMILESCOc1ccccc1C(c1ccccc1)C(C)(C)C=O
InChIInChI=1S/C18H20O2/c1-18(2,13-19)17(14-9-5-4-6-10-14)15-11-7-8-12-16(15)20-3/h4-13,17H,1-3H3
InChIKeyPZZYNXRGMJJTLO-UHFFFAOYSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal
CID 135005803
1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene
CID 173474378
O-[(2-methoxyphenyl)-phenylmethyl]hydroxylamine
CID 155511362
(5-tert-butyl-2-methoxyphenyl)-phenylmethanol
CID 171366960
2-(2-methoxyphenyl)-2-phenylacetate
CID 57353343
(1S)-1-(2-methoxyphenyl)ethanethiol
CID 28974918
acetaldehyde;benzene;(2,2,2-trifluoro-1-phenylethyl)benzene;hydrofluoride
CID 164965111
1-(1,2-diphenylbut-3-enyl)-2-methoxybenzene
CID 71377358
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide
CID 59232831
(1S,2R)-1-(2-methoxyphenyl)-2-phenylbut-3-en-1-ol
CID 11149486
2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65060788

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanal?
The IUPAC name of 3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanal (CID 143671323) is 3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanal.
What is the SMILES notation for 3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanal?
The canonical SMILES for 3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanal is COc1ccccc1C(c1ccccc1)C(C)(C)C=O.
What is the InChIKey of 3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanal?
The InChIKey is PZZYNXRGMJJTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-18(2,13-19)17(14-9-5-4-6-10-14)15-11-7-8-12-16(15)20-3/h4-13,17H,1-3H3.
What are the key properties of 3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanal?
3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanal has a molecular weight of 268.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanal is sourced from PubChem (CID 143671323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).