1-benzhydryloxypropan-2-ol;prop-2-enoic acid

C19H22O4 — CID 175126068

IUPAC1-benzhydryloxypropan-2-ol;prop-2-enoic acid
SMILESC=CC(=O)O.CC(O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18O2.C3H4O2/c1-13(17)12-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;1-2-3(4)5/h2-11,13,16-17H,12H2,1H3;2H,1H2,(H,4,5)
InChIKeyBGOJSYHDAVNGDG-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.43
Rot. Bonds6

About 1-benzhydryloxypropan-2-ol;prop-2-enoic acid

1-benzhydryloxypropan-2-ol;prop-2-enoic acid (PubChem CID 175126068) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-benzhydryloxypropan-2-ol;prop-2-enoic acid.

Molecular Properties

Compound Name1-benzhydryloxypropan-2-ol;prop-2-enoic acid
PubChem CID175126068
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name1-benzhydryloxypropan-2-ol;prop-2-enoic acid
SMILESC=CC(=O)O.CC(O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18O2.C3H4O2/c1-13(17)12-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;1-2-3(4)5/h2-11,13,16-17H,12H2,1H3;2H,1H2,(H,4,5)
InChIKeyBGOJSYHDAVNGDG-UHFFFAOYSA-N
XLogP3.43
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-benzhydryloxypropan-2-ol;prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid
CID 87252519
(Z)-but-2-enedioic acid;2-hydroxypropyl prop-2-enoate;styrene
CID 159660578
1,3-dibenzhydryloxypropan-2-yl 2-methylprop-2-enoate
CID 175128575
1-O-(2-hydroxypropyl) 4-O-(1-phenylethyl) (Z)-but-2-enedioate
CID 67579061
1-naphthalen-1-ylsulfanylpropan-2-ol;prop-2-enoic acid
CID 175303082
ethenyl acetate;1-phenylethanol
CID 170349745
1-(1-phenylbutoxy)propan-2-ol
CID 139655590
dimethyl-(1-phenylethyl)-(2-prop-2-enoyloxyethyl)azanium
CID 23288489
1-phenylethyl prop-2-enoate
CID 175321764
propane-1,2-diol;prop-2-enoic acid;terephthalic acid
CID 157389848
azane;2-benzhydryloxyacetic acid;propane
CID 173385608
N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid
CID 70599028

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryloxypropan-2-ol;prop-2-enoic acid?
The IUPAC name of 1-benzhydryloxypropan-2-ol;prop-2-enoic acid (CID 175126068) is 1-benzhydryloxypropan-2-ol;prop-2-enoic acid.
What is the SMILES notation for 1-benzhydryloxypropan-2-ol;prop-2-enoic acid?
The canonical SMILES for 1-benzhydryloxypropan-2-ol;prop-2-enoic acid is C=CC(=O)O.CC(O)COC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryloxypropan-2-ol;prop-2-enoic acid?
The InChIKey is BGOJSYHDAVNGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2.C3H4O2/c1-13(17)12-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;1-2-3(4)5/h2-11,13,16-17H,12H2,1H3;2H,1H2,(H,4,5).
What are the key properties of 1-benzhydryloxypropan-2-ol;prop-2-enoic acid?
1-benzhydryloxypropan-2-ol;prop-2-enoic acid has a molecular weight of 314.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryloxypropan-2-ol;prop-2-enoic acid is sourced from PubChem (CID 175126068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).