3-[4-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(2-hydroxyhydrazinyl)methyl]phenyl]prop-1-en-2-ol

C19H24N2O3 — CID 143636296

IUPAC3-[4-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(2-hydroxyhydrazinyl)methyl]phenyl]prop-1-en-2-ol
SMILESC=C(O)Cc1ccc(Cc2ccc(C(C)O)cc2)c(CNNO)c1
InChIInChI=1S/C19H24N2O3/c1-13(22)9-16-5-8-18(19(11-16)12-20-21-24)10-15-3-6-17(7-4-15)14(2)23/h3-8,11,14,20-24H,1,9-10,12H2,2H3
InChIKeyWHLIWADPQOJADD-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.93
Rot. Bonds8

About 3-[4-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(2-hydroxyhydrazinyl)methyl]phenyl]prop-1-en-2-ol

3-[4-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(2-hydroxyhydrazinyl)methyl]phenyl]prop-1-en-2-ol (PubChem CID 143636296) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-[4-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(2-hydroxyhydrazinyl)methyl]phenyl]prop-1-en-2-ol.

Molecular Properties

Compound Name3-[4-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(2-hydroxyhydrazinyl)methyl]phenyl]prop-1-en-2-ol
PubChem CID143636296
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-[4-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(2-hydroxyhydrazinyl)methyl]phenyl]prop-1-en-2-ol
SMILESC=C(O)Cc1ccc(Cc2ccc(C(C)O)cc2)c(CNNO)c1
InChIInChI=1S/C19H24N2O3/c1-13(22)9-16-5-8-18(19(11-16)12-20-21-24)10-15-3-6-17(7-4-15)14(2)23/h3-8,11,14,20-24H,1,9-10,12H2,2H3
InChIKeyWHLIWADPQOJADD-UHFFFAOYSA-N
XLogP2.93
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(2-hydroxyhydrazinyl)methyl]phenyl]prop-1-en-2-ol?
The IUPAC name of 3-[4-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(2-hydroxyhydrazinyl)methyl]phenyl]prop-1-en-2-ol (CID 143636296) is 3-[4-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(2-hydroxyhydrazinyl)methyl]phenyl]prop-1-en-2-ol.
What is the SMILES notation for 3-[4-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(2-hydroxyhydrazinyl)methyl]phenyl]prop-1-en-2-ol?
The canonical SMILES for 3-[4-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(2-hydroxyhydrazinyl)methyl]phenyl]prop-1-en-2-ol is C=C(O)Cc1ccc(Cc2ccc(C(C)O)cc2)c(CNNO)c1.
What is the InChIKey of 3-[4-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(2-hydroxyhydrazinyl)methyl]phenyl]prop-1-en-2-ol?
The InChIKey is WHLIWADPQOJADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13(22)9-16-5-8-18(19(11-16)12-20-21-24)10-15-3-6-17(7-4-15)14(2)23/h3-8,11,14,20-24H,1,9-10,12H2,2H3.
What are the key properties of 3-[4-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(2-hydroxyhydrazinyl)methyl]phenyl]prop-1-en-2-ol?
3-[4-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(2-hydroxyhydrazinyl)methyl]phenyl]prop-1-en-2-ol has a molecular weight of 328.41 g/mol, XLogP of 2.93, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(2-hydroxyhydrazinyl)methyl]phenyl]prop-1-en-2-ol is sourced from PubChem (CID 143636296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).