1,1,1,3,3,3-hexadeuterio-2-(4-methoxyphenyl)propan-2-ol

C10H14O2 — CID 71313445

IUPAC1,1,1,3,3,3-hexadeuterio-2-(4-methoxyphenyl)propan-2-ol
SMILES[2H]C([2H])([2H])C(O)(c1ccc(OC)cc1)C([2H])([2H])[2H]
InChIInChI=1S/C10H14O2/c1-10(2,11)8-4-6-9(12-3)7-5-8/h4-7,11H,1-3H3/i1D3,2D3
InChIKeyBFXOWZOXTDBCHP-WFGJKAKNSA-N
MW172.26 g/mol
LogP1.92
Rot. Bonds4

About 1,1,1,3,3,3-hexadeuterio-2-(4-methoxyphenyl)propan-2-ol

1,1,1,3,3,3-hexadeuterio-2-(4-methoxyphenyl)propan-2-ol (PubChem CID 71313445) has the molecular formula C10H14O2 and a molecular weight of 172.26 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexadeuterio-2-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexadeuterio-2-(4-methoxyphenyl)propan-2-ol
PubChem CID71313445
Molecular FormulaC10H14O2
Molecular Weight172.26 g/mol
Exact Mass172.14
IUPAC Name1,1,1,3,3,3-hexadeuterio-2-(4-methoxyphenyl)propan-2-ol
SMILES[2H]C([2H])([2H])C(O)(c1ccc(OC)cc1)C([2H])([2H])[2H]
InChIInChI=1S/C10H14O2/c1-10(2,11)8-4-6-9(12-3)7-5-8/h4-7,11H,1-3H3/i1D3,2D3
InChIKeyBFXOWZOXTDBCHP-WFGJKAKNSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10307904
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1-[4-[4-[1-hydroxy-1-(4-methoxyphenyl)prop-2-ynyl]phenyl]phenyl]-1-(4-methoxyphenyl)prop-2-yn-1-ol
CID 169006869
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2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol
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CID 170080996
CID 102373172
CID 102373172
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 19875161
bis(4-methoxyphenyl)-(1,3,5-trithian-2-yl)methanol
CID 10619795
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CID 101342310

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexadeuterio-2-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexadeuterio-2-(4-methoxyphenyl)propan-2-ol (CID 71313445) is 1,1,1,3,3,3-hexadeuterio-2-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexadeuterio-2-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexadeuterio-2-(4-methoxyphenyl)propan-2-ol is [2H]C([2H])([2H])C(O)(c1ccc(OC)cc1)C([2H])([2H])[2H].
What is the InChIKey of 1,1,1,3,3,3-hexadeuterio-2-(4-methoxyphenyl)propan-2-ol?
The InChIKey is BFXOWZOXTDBCHP-WFGJKAKNSA-N. The full InChI is InChI=1S/C10H14O2/c1-10(2,11)8-4-6-9(12-3)7-5-8/h4-7,11H,1-3H3/i1D3,2D3.
What are the key properties of 1,1,1,3,3,3-hexadeuterio-2-(4-methoxyphenyl)propan-2-ol?
1,1,1,3,3,3-hexadeuterio-2-(4-methoxyphenyl)propan-2-ol has a molecular weight of 172.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexadeuterio-2-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 71313445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).