(E)-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide

C16H15NO2 — CID 89009479

IUPAC(E)-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(-c2ccc(CO)cc2)cc1
InChIInChI=1S/C16H15NO2/c17-16(19)10-5-12-1-6-14(7-2-12)15-8-3-13(11-18)4-9-15/h1-10,18H,11H2,(H2,17,19)/b10-5+
InChIKeyJYPGQXGMUQPYAU-BJMVGYQFSA-N
MW253.30 g/mol
LogP2.34
Rot. Bonds4

About (E)-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide

(E)-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide (PubChem CID 89009479) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (E)-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide
PubChem CID89009479
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(E)-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(-c2ccc(CO)cc2)cc1
InChIInChI=1S/C16H15NO2/c17-16(19)10-5-12-1-6-14(7-2-12)15-8-3-13(11-18)4-9-15/h1-10,18H,11H2,(H2,17,19)/b10-5+
InChIKeyJYPGQXGMUQPYAU-BJMVGYQFSA-N
XLogP2.34
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
(E)-3-(4-ethylphenyl)prop-2-enamide
CID 19347567
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]propanoic acid
CID 169482235
fluoro (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate
CID 174949751
(E)-3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enoic acid
CID 169482234
(Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide
CID 170876865
(E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide
CID 141109244
3-[4-(2-fluorophenyl)phenyl]prop-2-enamide
CID 165348625
CID 88913216
CID 88913216
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
methyl 3-[4-(hydroxymethyl)phenyl]prop-2-eneperoxoate
CID 89277530
tert-butyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate
CID 101415549

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide (CID 89009479) is (E)-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide is NC(=O)/C=C/c1ccc(-c2ccc(CO)cc2)cc1.
What is the InChIKey of (E)-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide?
The InChIKey is JYPGQXGMUQPYAU-BJMVGYQFSA-N. The full InChI is InChI=1S/C16H15NO2/c17-16(19)10-5-12-1-6-14(7-2-12)15-8-3-13(11-18)4-9-15/h1-10,18H,11H2,(H2,17,19)/b10-5+.
What are the key properties of (E)-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide?
(E)-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide has a molecular weight of 253.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 89009479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).