3-[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]prop-2-yn-1-ol

C19H20O2 — CID 83137255

IUPAC3-[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]prop-2-yn-1-ol
SMILESCCc1ccc(COc2ccc(C#CCO)c(C)c2)cc1
InChIInChI=1S/C19H20O2/c1-3-16-6-8-17(9-7-16)14-21-19-11-10-18(5-4-12-20)15(2)13-19/h6-11,13,20H,3,12,14H2,1-2H3
InChIKeyCQPOQEVPOLMSHX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.48
Rot. Bonds4

About 3-[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]prop-2-yn-1-ol

3-[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]prop-2-yn-1-ol (PubChem CID 83137255) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]prop-2-yn-1-ol
PubChem CID83137255
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name3-[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]prop-2-yn-1-ol
SMILESCCc1ccc(COc2ccc(C#CCO)c(C)c2)cc1
InChIInChI=1S/C19H20O2/c1-3-16-6-8-17(9-7-16)14-21-19-11-10-18(5-4-12-20)15(2)13-19/h6-11,13,20H,3,12,14H2,1-2H3
InChIKeyCQPOQEVPOLMSHX-UHFFFAOYSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]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

4-[[4-(4-hydroxybut-1-ynyl)-3-methylphenoxy]methyl]phenol
CID 83137384
4-(2-methyl-4-phenylmethoxyphenyl)but-3-yn-1-ol
CID 83134790
3-(4-hexoxy-2-methylphenyl)prop-2-yn-1-ol
CID 83135099
3-[4-[(4-chlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine
CID 83134488
3-[4-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-2-methylphenyl]prop-2-yn-1-ol
CID 83137368
3-(4-butan-2-yloxy-2-methylphenyl)prop-2-yn-1-ol
CID 83134235
3-[4-(2-cyclopropylethoxy)-2-methylphenyl]prop-2-yn-1-ol
CID 83134949
3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-yn-1-ol
CID 169484952
[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]boronic acid
CID 83140673
3-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]prop-2-yn-1-ol
CID 82914917
1,2-dichloro-4-[[4-(3-chloroprop-1-ynyl)-3-methylphenoxy]methyl]benzene
CID 83137539
2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile
CID 102723978

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]prop-2-yn-1-ol (CID 83137255) is 3-[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]prop-2-yn-1-ol is CCc1ccc(COc2ccc(C#CCO)c(C)c2)cc1.
What is the InChIKey of 3-[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]prop-2-yn-1-ol?
The InChIKey is CQPOQEVPOLMSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-3-16-6-8-17(9-7-16)14-21-19-11-10-18(5-4-12-20)15(2)13-19/h6-11,13,20H,3,12,14H2,1-2H3.
What are the key properties of 3-[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]prop-2-yn-1-ol?
3-[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]prop-2-yn-1-ol has a molecular weight of 280.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]prop-2-yn-1-ol is sourced from PubChem (CID 83137255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).