3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol

C18H24O3 — CID 62383394

IUPAC3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cccc(OCCOCC2CCCCC2)c1
InChIInChI=1S/C18H24O3/c19-11-5-9-16-8-4-10-18(14-16)21-13-12-20-15-17-6-2-1-3-7-17/h4,8,10,14,17,19H,1-3,6-7,11-13,15H2
InChIKeyZDEKIHZVZVXFDZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.01
Rot. Bonds6

About 3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol

3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol (PubChem CID 62383394) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol
PubChem CID62383394
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cccc(OCCOCC2CCCCC2)c1
InChIInChI=1S/C18H24O3/c19-11-5-9-16-8-4-10-18(14-16)21-13-12-20-15-17-6-2-1-3-7-17/h4,8,10,14,17,19H,1-3,6-7,11-13,15H2
InChIKeyZDEKIHZVZVXFDZ-UHFFFAOYSA-N
XLogP3.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(cyclohexylmethoxy)ethoxy]benzonitrile
CID 62381700
[3-[2-(cycloheptylmethoxy)ethoxy]phenyl]boronic acid
CID 114248720
[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]boronic acid
CID 62383023
1-(3-chloroprop-1-ynyl)-3-(cyclobutylmethoxy)benzene
CID 65458621
3-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 107913130
1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene
CID 66321596
4-[3-[2-(2-cyclopropylethoxy)ethoxy]phenyl]but-3-yn-1-ol
CID 106203810
3-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 66322876
3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol
CID 65458406
3-[3-[2-(oxan-4-ylsulfanyl)ethoxy]phenyl]prop-2-yn-1-ol
CID 62990503
3-[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 63623569
3-[3-(4,4,4-trifluorobutoxy)phenyl]prop-2-yn-1-ol
CID 113327190

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol (CID 62383394) is 3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol is OCC#Cc1cccc(OCCOCC2CCCCC2)c1.
What is the InChIKey of 3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol?
The InChIKey is ZDEKIHZVZVXFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c19-11-5-9-16-8-4-10-18(14-16)21-13-12-20-15-17-6-2-1-3-7-17/h4,8,10,14,17,19H,1-3,6-7,11-13,15H2.
What are the key properties of 3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol?
3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol has a molecular weight of 288.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 62383394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).