4-[(E,3R)-3-hydroxy-3-(2-methylphenoxy)prop-1-enyl]phenol

C16H16O3 — CID 134405203

IUPAC4-[(E,3R)-3-hydroxy-3-(2-methylphenoxy)prop-1-enyl]phenol
SMILESCc1ccccc1O[C@@H](O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C16H16O3/c1-12-4-2-3-5-15(12)19-16(18)11-8-13-6-9-14(17)10-7-13/h2-11,16-18H,1H3/b11-8+/t16-/m1/s1
InChIKeyZYWIHCSRPSABSO-YCABEKBOSA-N
MW256.30 g/mol
LogP3.11
Rot. Bonds4

About 4-[(E,3R)-3-hydroxy-3-(2-methylphenoxy)prop-1-enyl]phenol

4-[(E,3R)-3-hydroxy-3-(2-methylphenoxy)prop-1-enyl]phenol (PubChem CID 134405203) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[(E,3R)-3-hydroxy-3-(2-methylphenoxy)prop-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E,3R)-3-hydroxy-3-(2-methylphenoxy)prop-1-enyl]phenol
PubChem CID134405203
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name4-[(E,3R)-3-hydroxy-3-(2-methylphenoxy)prop-1-enyl]phenol
SMILESCc1ccccc1O[C@@H](O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C16H16O3/c1-12-4-2-3-5-15(12)19-16(18)11-8-13-6-9-14(17)10-7-13/h2-11,16-18H,1H3/b11-8+/t16-/m1/s1
InChIKeyZYWIHCSRPSABSO-YCABEKBOSA-N
XLogP3.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[(E,3R)-3-hydroxy-3-(2-methylphenoxy)prop-1-enyl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E,3R)-3-hydroxy-3-(2-methylphenoxy)prop-1-enyl]phenol?
The IUPAC name of 4-[(E,3R)-3-hydroxy-3-(2-methylphenoxy)prop-1-enyl]phenol (CID 134405203) is 4-[(E,3R)-3-hydroxy-3-(2-methylphenoxy)prop-1-enyl]phenol.
What is the SMILES notation for 4-[(E,3R)-3-hydroxy-3-(2-methylphenoxy)prop-1-enyl]phenol?
The canonical SMILES for 4-[(E,3R)-3-hydroxy-3-(2-methylphenoxy)prop-1-enyl]phenol is Cc1ccccc1O[C@@H](O)/C=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(E,3R)-3-hydroxy-3-(2-methylphenoxy)prop-1-enyl]phenol?
The InChIKey is ZYWIHCSRPSABSO-YCABEKBOSA-N. The full InChI is InChI=1S/C16H16O3/c1-12-4-2-3-5-15(12)19-16(18)11-8-13-6-9-14(17)10-7-13/h2-11,16-18H,1H3/b11-8+/t16-/m1/s1.
What are the key properties of 4-[(E,3R)-3-hydroxy-3-(2-methylphenoxy)prop-1-enyl]phenol?
4-[(E,3R)-3-hydroxy-3-(2-methylphenoxy)prop-1-enyl]phenol has a molecular weight of 256.30 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E,3R)-3-hydroxy-3-(2-methylphenoxy)prop-1-enyl]phenol is sourced from PubChem (CID 134405203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).