2-phenoxyacetic acid;titanium

C8H8O3Ti — CID 174896747

IUPAC2-phenoxyacetic acid;titanium
SMILESO=C(O)COc1ccccc1.[Ti]
InChIInChI=1S/C8H8O3.Ti/c9-8(10)6-11-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);
InChIKeyYHCOSQVBPVONRR-UHFFFAOYSA-N
MW200.02 g/mol
LogP1.15
Rot. Bonds3

About 2-phenoxyacetic acid;titanium

2-phenoxyacetic acid;titanium (PubChem CID 174896747) has the molecular formula C8H8O3Ti and a molecular weight of 200.02 g/mol. Its IUPAC name is 2-phenoxyacetic acid;titanium.

Molecular Properties

Compound Name2-phenoxyacetic acid;titanium
PubChem CID174896747
Molecular FormulaC8H8O3Ti
Molecular Weight200.02 g/mol
Exact Mass200.00
IUPAC Name2-phenoxyacetic acid;titanium
SMILESO=C(O)COc1ccccc1.[Ti]
InChIInChI=1S/C8H8O3.Ti/c9-8(10)6-11-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);
InChIKeyYHCOSQVBPVONRR-UHFFFAOYSA-N
XLogP1.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.02
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

magnesium;hydride;2-phenoxyacetic acid
CID 173069745
chloromethane;2-phenoxyacetic acid
CID 157255542
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
naphthalene;2-phenoxyacetic acid
CID 175275275
2-phenoxyacetic acid;piperazine
CID 54610102
2-phenoxyacetic acid;phenyl acetate
CID 160680696
2-ethylbutanoic acid;2-phenoxyacetic acid
CID 69343570
1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid
CID 175172730
2-oxo-3-phenoxypropanoic acid
CID 18994126
2-[4-(3-phenylpropyl)phenoxy]acetic acid
CID 101304204
2-[4-[12-[4-(carboxymethoxy)phenoxy]dodecoxy]phenoxy]acetic acid
CID 139839554
2-(4-phosphanylphenoxy)acetic acid
CID 143227716

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyacetic acid;titanium?
The IUPAC name of 2-phenoxyacetic acid;titanium (CID 174896747) is 2-phenoxyacetic acid;titanium.
What is the SMILES notation for 2-phenoxyacetic acid;titanium?
The canonical SMILES for 2-phenoxyacetic acid;titanium is O=C(O)COc1ccccc1.[Ti].
What is the InChIKey of 2-phenoxyacetic acid;titanium?
The InChIKey is YHCOSQVBPVONRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.Ti/c9-8(10)6-11-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);.
What are the key properties of 2-phenoxyacetic acid;titanium?
2-phenoxyacetic acid;titanium has a molecular weight of 200.02 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyacetic acid;titanium is sourced from PubChem (CID 174896747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).