1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-ol

C18H18O4 — CID 67173555

IUPAC1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-ol
SMILESCOc1ccc(C#CC(O)c2ccc(OCCO)cc2)cc1
InChIInChI=1S/C18H18O4/c1-21-16-7-2-14(3-8-16)4-11-18(20)15-5-9-17(10-6-15)22-13-12-19/h2-3,5-10,18-20H,12-13H2,1H3
InChIKeyVYADWLAYSTUANV-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.15
Rot. Bonds5

About 1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-ol

1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-ol (PubChem CID 67173555) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-ol
PubChem CID67173555
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-ol
SMILESCOc1ccc(C#CC(O)c2ccc(OCCO)cc2)cc1
InChIInChI=1S/C18H18O4/c1-21-16-7-2-14(3-8-16)4-11-18(20)15-5-9-17(10-6-15)22-13-12-19/h2-3,5-10,18-20H,12-13H2,1H3
InChIKeyVYADWLAYSTUANV-UHFFFAOYSA-N
XLogP2.15
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-ol 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

(1R)-1-(4-methoxyphenyl)-3-(4-propylphenyl)prop-2-yn-1-ol
CID 102125831
2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol
CID 20544404
1-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-yn-1-ol
CID 67563046
[4-(2-hydroxyethoxy)phenyl]-(4-methoxyphenyl)methanone
CID 66778395
1-methoxy-4-[1-(4-methoxyphenyl)penta-1,4-diyn-3-yl]benzene
CID 58005185
(1S)-1-(4-methoxyphenyl)hept-2-yn-1-ol
CID 101224445
CID 162335780
CID 162335780
(1S)-1-(4-methoxyphenyl)pentane-1,5-diol
CID 92859928
methyl (4R)-4-hydroxy-4-(4-methoxyphenyl)but-2-ynoate
CID 25259228
N,N-diethyl-2-[4-[2-[4-(4-methoxyphenyl)phenyl]ethynyl]phenoxy]ethanamine
CID 122184570
1-(3-chlorobut-1-ynyl)-4-methoxybenzene
CID 121218396
5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78930532

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-ol?
The IUPAC name of 1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-ol (CID 67173555) is 1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-ol.
What is the SMILES notation for 1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-ol?
The canonical SMILES for 1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-ol is COc1ccc(C#CC(O)c2ccc(OCCO)cc2)cc1.
What is the InChIKey of 1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-ol?
The InChIKey is VYADWLAYSTUANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-21-16-7-2-14(3-8-16)4-11-18(20)15-5-9-17(10-6-15)22-13-12-19/h2-3,5-10,18-20H,12-13H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-ol?
1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-ol has a molecular weight of 298.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-ol is sourced from PubChem (CID 67173555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).