2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene

C20H22O3 — CID 174460969

IUPAC2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.O=C(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O2.C6H10O/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-5-7-6-4-2/h1-10,13H,(H,15,16);3-4H,1-2,5-6H2
InChIKeyCXANSQCLQXCOIN-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.28
Rot. Bonds7

About 2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene

2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene (PubChem CID 174460969) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Name2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene
PubChem CID174460969
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.O=C(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O2.C6H10O/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-5-7-6-4-2/h1-10,13H,(H,15,16);3-4H,1-2,5-6H2
InChIKeyCXANSQCLQXCOIN-UHFFFAOYSA-N
XLogP4.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

barium(2+);2,2-diphenylacetic acid;hydride
CID 174636718
lithium;2,2-diphenylacetic acid;hydride
CID 174648923
(2R)-2-phenyl-2-(4-phenylphenyl)acetic acid
CID 38989084
benzene-1,2-diol;2,2-diphenylacetic acid
CID 70395054
2-phenyl-2-(prop-2-enoxycarbonylamino)acetic acid
CID 14854186
1,1'-biphenyl;bis(dihydroxy(oxo)phosphanium);3-prop-2-enoxyprop-1-ene
CID 173226505
(3R)-4-oxo-3-phenyl-4-prop-2-enoxybutanoic acid
CID 97456126
2-phenyl-2-(4-prop-2-enoxybutanoylamino)acetic acid
CID 119197383
2-phenyl-2-prop-2-enoxycarbothioylsulfanylacetic acid
CID 117059488
disodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene
CID 173405020
2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate
CID 175934339
(2R)-2-(4-chlorophenyl)-2-phenylacetic acid
CID 7009399

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene?
The IUPAC name of 2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene (CID 174460969) is 2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for 2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for 2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene is C=CCOCC=C.O=C(O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene?
The InChIKey is CXANSQCLQXCOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C6H10O/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-5-7-6-4-2/h1-10,13H,(H,15,16);3-4H,1-2,5-6H2.
What are the key properties of 2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene?
2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene has a molecular weight of 310.39 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 174460969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).