methyl 2-benzhydrylprop-2-enoate

C17H16O2 — CID 67016942

IUPACmethyl 2-benzhydrylprop-2-enoate
SMILESC=C(C(=O)OC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-13(17(18)19-2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,1H2,2H3
InChIKeyDMBGQKCRPYSHAK-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.55
Rot. Bonds4

About methyl 2-benzhydrylprop-2-enoate

methyl 2-benzhydrylprop-2-enoate (PubChem CID 67016942) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 2-benzhydrylprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-benzhydrylprop-2-enoate
PubChem CID67016942
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Namemethyl 2-benzhydrylprop-2-enoate
SMILESC=C(C(=O)OC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-13(17(18)19-2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,1H2,2H3
InChIKeyDMBGQKCRPYSHAK-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 2-benzhydrylprop-2-enoate 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

methyl 2-[bromo(phenyl)methyl]prop-2-enoate
CID 15812396
methyl 4-hydroxy-2-methylidene-3-phenylbutanoate
CID 10632091
methyl (3S)-4,4,4-trichloro-2-methylidene-3-phenylbutanoate
CID 132597424
methyl 2-[(S)-acetyloxy(phenyl)methyl]prop-2-enoate
CID 51550449
methyl (3R,4S)-4-hydroxy-2-methylidene-3-naphthalen-1-yl-4-phenylbutanoate
CID 164516866
methyl 2-[phenyl(prop-2-enoyloxy)methyl]prop-2-enoate
CID 15642603
methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate
CID 11770323
methyl 2-[hydroxy-[3-[3-(1-hydroxy-2-methoxycarbonylprop-2-enyl)phenyl]phenyl]methyl]prop-2-enoate
CID 15040466
methyl 2-[(R)-anilino-(3-methylphenyl)methyl]prop-2-enoate
CID 132560929
methyl 2-[(R)-(2-methylanilino)-phenylmethyl]prop-2-enoate
CID 138968921
methyl 2-methylidene-3-phenyldecanoate
CID 54497429
2-benzhydryl-1-phenylprop-2-en-1-one
CID 102189131

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzhydrylprop-2-enoate?
The IUPAC name of methyl 2-benzhydrylprop-2-enoate (CID 67016942) is methyl 2-benzhydrylprop-2-enoate.
What is the SMILES notation for methyl 2-benzhydrylprop-2-enoate?
The canonical SMILES for methyl 2-benzhydrylprop-2-enoate is C=C(C(=O)OC)C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-benzhydrylprop-2-enoate?
The InChIKey is DMBGQKCRPYSHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-13(17(18)19-2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,1H2,2H3.
What are the key properties of methyl 2-benzhydrylprop-2-enoate?
methyl 2-benzhydrylprop-2-enoate has a molecular weight of 252.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzhydrylprop-2-enoate is sourced from PubChem (CID 67016942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).