2-[4-(trideuteriomethoxy)phenyl]acetic acid

C9H10O3 — CID 177182175

IUPAC2-[4-(trideuteriomethoxy)phenyl]acetic acid
SMILES[2H]C([2H])([2H])Oc1ccc(CC(=O)O)cc1
InChIInChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)/i1D3
InChIKeyNRPFNQUDKRYCNX-FIBGUPNXSA-N
MW169.19 g/mol
LogP1.32
Rot. Bonds4

About 2-[4-(trideuteriomethoxy)phenyl]acetic acid

2-[4-(trideuteriomethoxy)phenyl]acetic acid (PubChem CID 177182175) has the molecular formula C9H10O3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-[4-(trideuteriomethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(trideuteriomethoxy)phenyl]acetic acid
PubChem CID177182175
Molecular FormulaC9H10O3
Molecular Weight169.19 g/mol
Exact Mass169.08
IUPAC Name2-[4-(trideuteriomethoxy)phenyl]acetic acid
SMILES[2H]C([2H])([2H])Oc1ccc(CC(=O)O)cc1
InChIInChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)/i1D3
InChIKeyNRPFNQUDKRYCNX-FIBGUPNXSA-N
XLogP1.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroperoxyphenyl)acetic acid
CID 151534269
2-(4-methoxyphenyl)acetic acid;oxolane
CID 67598100
2-(4-pyridin-4-yloxyphenyl)acetic acid
CID 61395502
2-[4-[(4-methoxyphenyl)methylsulfinyl]phenyl]acetic acid
CID 64927206
2-(4-carbamoyloxyphenyl)acetic acid
CID 54293995
2-[4-(2-hydroxyacetyl)oxyphenyl]acetic acid
CID 117094928
2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride
CID 71756945
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
2-(4-stibonophenyl)acetic acid
CID 140522663
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
2-[4-(4-methylsulfanylphenoxy)phenyl]acetic acid
CID 70507795

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trideuteriomethoxy)phenyl]acetic acid?
The IUPAC name of 2-[4-(trideuteriomethoxy)phenyl]acetic acid (CID 177182175) is 2-[4-(trideuteriomethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(trideuteriomethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[4-(trideuteriomethoxy)phenyl]acetic acid is [2H]C([2H])([2H])Oc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(trideuteriomethoxy)phenyl]acetic acid?
The InChIKey is NRPFNQUDKRYCNX-FIBGUPNXSA-N. The full InChI is InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)/i1D3.
What are the key properties of 2-[4-(trideuteriomethoxy)phenyl]acetic acid?
2-[4-(trideuteriomethoxy)phenyl]acetic acid has a molecular weight of 169.19 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trideuteriomethoxy)phenyl]acetic acid is sourced from PubChem (CID 177182175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).