calcium;hydride;2-(4-phenylphenyl)acetic acid

C14H14CaO2 — CID 174946649

IUPACcalcium;hydride;2-(4-phenylphenyl)acetic acid
SMILESO=C(O)Cc1ccc(-c2ccccc2)cc1.[Ca+2].[H-].[H-]
InChIInChI=1S/C14H12O2.Ca.2H/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;;;/h1-9H,10H2,(H,15,16);;;/q;+2;2*-1
InChIKeyZUQOBIHOTROBKT-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.82
Rot. Bonds3

About calcium;hydride;2-(4-phenylphenyl)acetic acid

calcium;hydride;2-(4-phenylphenyl)acetic acid (PubChem CID 174946649) has the molecular formula C14H14CaO2 and a molecular weight of 254.34 g/mol. Its IUPAC name is calcium;hydride;2-(4-phenylphenyl)acetic acid.

Molecular Properties

Compound Namecalcium;hydride;2-(4-phenylphenyl)acetic acid
PubChem CID174946649
Molecular FormulaC14H14CaO2
Molecular Weight254.34 g/mol
Exact Mass254.06
IUPAC Namecalcium;hydride;2-(4-phenylphenyl)acetic acid
SMILESO=C(O)Cc1ccc(-c2ccccc2)cc1.[Ca+2].[H-].[H-]
InChIInChI=1S/C14H12O2.Ca.2H/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;;;/h1-9H,10H2,(H,15,16);;;/q;+2;2*-1
InChIKeyZUQOBIHOTROBKT-UHFFFAOYSA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

calcium;hydride;2-phenylacetic acid
CID 173132712
1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride
CID 86623035
2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid
CID 174946670
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112
2-(3,5-diphenylphenyl)acetic acid
CID 20542723
2-(4-phenylphenyl)acetyl chloride
CID 11264727
2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid
CID 1394294
formaldehyde;2-phenylacetic acid
CID 70638018
2-[4-(3-fluorophenyl)phenyl]acetic acid;methane
CID 67899912

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;2-(4-phenylphenyl)acetic acid?
The IUPAC name of calcium;hydride;2-(4-phenylphenyl)acetic acid (CID 174946649) is calcium;hydride;2-(4-phenylphenyl)acetic acid.
What is the SMILES notation for calcium;hydride;2-(4-phenylphenyl)acetic acid?
The canonical SMILES for calcium;hydride;2-(4-phenylphenyl)acetic acid is O=C(O)Cc1ccc(-c2ccccc2)cc1.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;2-(4-phenylphenyl)acetic acid?
The InChIKey is ZUQOBIHOTROBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.Ca.2H/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;;;/h1-9H,10H2,(H,15,16);;;/q;+2;2*-1.
What are the key properties of calcium;hydride;2-(4-phenylphenyl)acetic acid?
calcium;hydride;2-(4-phenylphenyl)acetic acid has a molecular weight of 254.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;2-(4-phenylphenyl)acetic acid is sourced from PubChem (CID 174946649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).