1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol

C15H16O2 — CID 135063762

IUPAC1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol
SMILES[2H]C(O)(Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C15H16O2/c1-17-14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h2-10,15-16H,11H2,1H3/i15D
InChIKeyLZGPSZXEKATVDE-RWFJLFJASA-N
MW229.30 g/mol
LogP2.97
Rot. Bonds4

About 1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol

1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol (PubChem CID 135063762) has the molecular formula C15H16O2 and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol.

Molecular Properties

Compound Name1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol
PubChem CID135063762
Molecular FormulaC15H16O2
Molecular Weight229.30 g/mol
Exact Mass229.12
IUPAC Name1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol
SMILES[2H]C(O)(Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C15H16O2/c1-17-14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h2-10,15-16H,11H2,1H3/i15D
InChIKeyLZGPSZXEKATVDE-RWFJLFJASA-N
XLogP2.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
CID 171267031
2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol
CID 62722209
1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
CID 24838118
1-methoxy-4-(1-nitroso-2-phenylethyl)benzene
CID 91063046
[1-(4-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105190728
(2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 95560671
(1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171261088
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
(2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one
CID 139118862
1-[(1R)-1-(4-methoxyphenyl)-2-phenylethyl]-1-methyl-3-phenylthiourea
CID 7328313
(3R,4R)-3-hydroxy-2-[(4-methoxyphenyl)methyl]-4-methyl-5-phenylpentanal
CID 87566123
1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene
CID 22357970

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol?
The IUPAC name of 1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol (CID 135063762) is 1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol.
What is the SMILES notation for 1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol?
The canonical SMILES for 1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol is [2H]C(O)(Cc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol?
The InChIKey is LZGPSZXEKATVDE-RWFJLFJASA-N. The full InChI is InChI=1S/C15H16O2/c1-17-14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h2-10,15-16H,11H2,1H3/i15D.
What are the key properties of 1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol?
1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol has a molecular weight of 229.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol is sourced from PubChem (CID 135063762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).