3-(4-cyclohexyloxy-3-methylphenyl)prop-2-yn-1-ol

C16H20O2 — CID 63214410

IUPAC3-(4-cyclohexyloxy-3-methylphenyl)prop-2-yn-1-ol
SMILESCc1cc(C#CCO)ccc1OC1CCCCC1
InChIInChI=1S/C16H20O2/c1-13-12-14(6-5-11-17)9-10-16(13)18-15-7-3-2-4-8-15/h9-10,12,15,17H,2-4,7-8,11H2,1H3
InChIKeyWWLQRWWQRAJRIK-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.05
Rot. Bonds2

About 3-(4-cyclohexyloxy-3-methylphenyl)prop-2-yn-1-ol

3-(4-cyclohexyloxy-3-methylphenyl)prop-2-yn-1-ol (PubChem CID 63214410) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-(4-cyclohexyloxy-3-methylphenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(4-cyclohexyloxy-3-methylphenyl)prop-2-yn-1-ol
PubChem CID63214410
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name3-(4-cyclohexyloxy-3-methylphenyl)prop-2-yn-1-ol
SMILESCc1cc(C#CCO)ccc1OC1CCCCC1
InChIInChI=1S/C16H20O2/c1-13-12-14(6-5-11-17)9-10-16(13)18-15-7-3-2-4-8-15/h9-10,12,15,17H,2-4,7-8,11H2,1H3
InChIKeyWWLQRWWQRAJRIK-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-methyl-4-(oxan-4-yloxy)phenyl]prop-2-yn-1-ol
CID 63937093
3-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol
CID 60799682
4-[3-methyl-4-(oxan-4-yloxy)phenyl]but-3-yn-1-ol
CID 63937286
4-cyclopentyloxy-3-methylbenzonitrile
CID 60929177
3-[3-(cyclobutyloxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol
CID 62141418
4-[4-(3-chloroprop-1-ynyl)-2-methylphenoxy]oxane
CID 63935497
4-[4-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]but-3-yn-1-ol
CID 64738452
3-[4-fluoro-3-(3-methoxycyclohexyl)oxyphenyl]prop-2-yn-1-ol
CID 114675262
4-[3-methyl-4-(oxolan-3-yloxy)phenyl]but-3-yn-1-ol
CID 63563810
3-(3-methyl-4-nonoxyphenyl)prop-2-yn-1-ol
CID 63418820
3-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 63214707
3-(3-cyclohexyloxy-5-fluorophenyl)prop-2-yn-1-ol
CID 81325582

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexyloxy-3-methylphenyl)prop-2-yn-1-ol?
The IUPAC name of 3-(4-cyclohexyloxy-3-methylphenyl)prop-2-yn-1-ol (CID 63214410) is 3-(4-cyclohexyloxy-3-methylphenyl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(4-cyclohexyloxy-3-methylphenyl)prop-2-yn-1-ol?
The canonical SMILES for 3-(4-cyclohexyloxy-3-methylphenyl)prop-2-yn-1-ol is Cc1cc(C#CCO)ccc1OC1CCCCC1.
What is the InChIKey of 3-(4-cyclohexyloxy-3-methylphenyl)prop-2-yn-1-ol?
The InChIKey is WWLQRWWQRAJRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-13-12-14(6-5-11-17)9-10-16(13)18-15-7-3-2-4-8-15/h9-10,12,15,17H,2-4,7-8,11H2,1H3.
What are the key properties of 3-(4-cyclohexyloxy-3-methylphenyl)prop-2-yn-1-ol?
3-(4-cyclohexyloxy-3-methylphenyl)prop-2-yn-1-ol has a molecular weight of 244.33 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexyloxy-3-methylphenyl)prop-2-yn-1-ol is sourced from PubChem (CID 63214410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).