(1-deuterio-2,2-dimethoxy-2-phenylethyl)benzene

C16H18O2 — CID 175720305

IUPAC(1-deuterio-2,2-dimethoxy-2-phenylethyl)benzene
SMILES[2H]C(c1ccccc1)C(OC)(OC)c1ccccc1
InChIInChI=1S/C16H18O2/c1-17-16(18-2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3/i13D
InChIKeyCTLDMRCJDQGAQJ-YSOHJTORSA-N
MW243.32 g/mol
LogP3.37
Rot. Bonds5

About (1-deuterio-2,2-dimethoxy-2-phenylethyl)benzene

(1-deuterio-2,2-dimethoxy-2-phenylethyl)benzene (PubChem CID 175720305) has the molecular formula C16H18O2 and a molecular weight of 243.32 g/mol. Its IUPAC name is (1-deuterio-2,2-dimethoxy-2-phenylethyl)benzene.

Molecular Properties

Compound Name(1-deuterio-2,2-dimethoxy-2-phenylethyl)benzene
PubChem CID175720305
Molecular FormulaC16H18O2
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name(1-deuterio-2,2-dimethoxy-2-phenylethyl)benzene
SMILES[2H]C(c1ccccc1)C(OC)(OC)c1ccccc1
InChIInChI=1S/C16H18O2/c1-17-16(18-2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3/i13D
InChIKeyCTLDMRCJDQGAQJ-YSOHJTORSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1,1-dimethoxy-2-nitroethyl)benzene
CID 822390
4-(3,3-dimethoxy-3-phenylpropyl)phenol
CID 175486345
4,4-dimethoxy-4-phenylbutanenitrile
CID 13065938
methoxy-phenyl-phenylmethoxymethanol
CID 168654991
(2-methoxy-2-methylpropyl)benzene
CID 3842751
benzylbenzene;methoxymethane
CID 161110966
3,3-dimethoxy-3-(4-phenylphenyl)propanenitrile
CID 12960031
(3S)-3-methoxy-3,4-diphenylbutan-1-ol
CID 11817715
(1,1-dimethoxy-2-phenylethyl)benzene;(1-hydroxycyclohexyl)-phenylmethanone
CID 157395902
N-(4,4-dimethoxy-4-phenylbutyl)methanesulfonamide
CID 110673080
3-deuterio-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid
CID 123382824
(1-methoxy-1-phenylbut-3-enyl)benzene;hydrate
CID 67237772

Frequently Asked Questions

What is the IUPAC name of (1-deuterio-2,2-dimethoxy-2-phenylethyl)benzene?
The IUPAC name of (1-deuterio-2,2-dimethoxy-2-phenylethyl)benzene (CID 175720305) is (1-deuterio-2,2-dimethoxy-2-phenylethyl)benzene.
What is the SMILES notation for (1-deuterio-2,2-dimethoxy-2-phenylethyl)benzene?
The canonical SMILES for (1-deuterio-2,2-dimethoxy-2-phenylethyl)benzene is [2H]C(c1ccccc1)C(OC)(OC)c1ccccc1.
What is the InChIKey of (1-deuterio-2,2-dimethoxy-2-phenylethyl)benzene?
The InChIKey is CTLDMRCJDQGAQJ-YSOHJTORSA-N. The full InChI is InChI=1S/C16H18O2/c1-17-16(18-2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3/i13D.
What are the key properties of (1-deuterio-2,2-dimethoxy-2-phenylethyl)benzene?
(1-deuterio-2,2-dimethoxy-2-phenylethyl)benzene has a molecular weight of 243.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-deuterio-2,2-dimethoxy-2-phenylethyl)benzene is sourced from PubChem (CID 175720305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).