4-[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]but-3-yn-1-ol

C18H23FO2 — CID 62383213

IUPAC4-[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]but-3-yn-1-ol
SMILESOCCC#Cc1ccc(COCC2CCCCC2)c(F)c1
InChIInChI=1S/C18H23FO2/c19-18-12-15(6-4-5-11-20)9-10-17(18)14-21-13-16-7-2-1-3-8-16/h9-10,12,16,20H,1-3,5,7-8,11,13-14H2
InChIKeyDGSDTDRUAGBXEZ-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.66
Rot. Bonds5

About 4-[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]but-3-yn-1-ol

4-[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]but-3-yn-1-ol (PubChem CID 62383213) has the molecular formula C18H23FO2 and a molecular weight of 290.38 g/mol. Its IUPAC name is 4-[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]but-3-yn-1-ol
PubChem CID62383213
Molecular FormulaC18H23FO2
Molecular Weight290.38 g/mol
Exact Mass290.17
IUPAC Name4-[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]but-3-yn-1-ol
SMILESOCCC#Cc1ccc(COCC2CCCCC2)c(F)c1
InChIInChI=1S/C18H23FO2/c19-18-12-15(6-4-5-11-20)9-10-17(18)14-21-13-16-7-2-1-3-8-16/h9-10,12,16,20H,1-3,5,7-8,11,13-14H2
InChIKeyDGSDTDRUAGBXEZ-UHFFFAOYSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.66
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-[4-(cyclopentylmethoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine
CID 66323089
4-[2-(cyclohexylmethoxymethyl)-5-fluorophenyl]but-3-yn-1-ol
CID 62383929
4-[3-(cyclohexylmethoxymethyl)-5-fluorophenyl]but-3-yn-1-ol
CID 79699980
4-[3-fluoro-4-(3,3,3-trifluoropropoxymethyl)phenyl]but-3-yn-1-ol
CID 82958874
4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid
CID 63075026
4-[5-fluoro-2-(oxan-4-ylmethoxymethyl)phenyl]but-3-yn-1-ol
CID 62383041
4-[3-fluoro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]but-3-yn-1-ol
CID 64597871
4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide
CID 66321784
4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarbothioamide
CID 66321774
4-[4-(oxan-4-ylmethoxymethyl)phenyl]but-3-yn-1-ol
CID 62383035
3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-ol
CID 62383927
3-[3-(cyclopentylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine
CID 66323088

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]but-3-yn-1-ol?
The IUPAC name of 4-[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]but-3-yn-1-ol (CID 62383213) is 4-[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]but-3-yn-1-ol is OCCC#Cc1ccc(COCC2CCCCC2)c(F)c1.
What is the InChIKey of 4-[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]but-3-yn-1-ol?
The InChIKey is DGSDTDRUAGBXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FO2/c19-18-12-15(6-4-5-11-20)9-10-17(18)14-21-13-16-7-2-1-3-8-16/h9-10,12,16,20H,1-3,5,7-8,11,13-14H2.
What are the key properties of 4-[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]but-3-yn-1-ol?
4-[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]but-3-yn-1-ol has a molecular weight of 290.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]but-3-yn-1-ol is sourced from PubChem (CID 62383213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).