3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-ol

C17H21FO2 — CID 62383927

IUPAC3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(COCC2CCCCC2)ccc1F
InChIInChI=1S/C17H21FO2/c18-17-9-8-15(11-16(17)7-4-10-19)13-20-12-14-5-2-1-3-6-14/h8-9,11,14,19H,1-3,5-6,10,12-13H2
InChIKeyHVBPLXVVGCNDCN-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.27
Rot. Bonds4

About 3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-ol

3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-ol (PubChem CID 62383927) has the molecular formula C17H21FO2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-ol
PubChem CID62383927
Molecular FormulaC17H21FO2
Molecular Weight276.35 g/mol
Exact Mass276.15
IUPAC Name3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(COCC2CCCCC2)ccc1F
InChIInChI=1S/C17H21FO2/c18-17-9-8-15(11-16(17)7-4-10-19)13-20-12-14-5-2-1-3-6-14/h8-9,11,14,19H,1-3,5-6,10,12-13H2
InChIKeyHVBPLXVVGCNDCN-UHFFFAOYSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]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

3-[5-(cyclobutyloxymethyl)-2-fluorophenyl]prop-2-yn-1-ol
CID 62141595
3-[5-(cyclopropylmethoxymethyl)-2-methoxyphenyl]prop-2-yn-1-ol
CID 54974372
3-[2-(cyclohexylmethoxymethyl)phenyl]prop-2-yn-1-ol
CID 62383396
2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene
CID 66322231
[5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid
CID 66324024
4-(cyclohexylmethoxymethyl)-2-fluorobenzoic acid
CID 106698414
3-[5-[(2-ethylazepan-1-yl)methyl]-2-fluorophenyl]prop-2-yn-1-ol
CID 104691429
3-[2-fluoro-5-(2-methylpentoxymethyl)phenyl]prop-2-yn-1-ol
CID 103284667
3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-enoic acid
CID 76942593
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-[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]but-3-yn-1-ol
CID 62383213

Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-ol (CID 62383927) is 3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-ol is OCC#Cc1cc(COCC2CCCCC2)ccc1F.
What is the InChIKey of 3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-ol?
The InChIKey is HVBPLXVVGCNDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FO2/c18-17-9-8-15(11-16(17)7-4-10-19)13-20-12-14-5-2-1-3-6-14/h8-9,11,14,19H,1-3,5-6,10,12-13H2.
What are the key properties of 3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-ol?
3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-ol has a molecular weight of 276.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-ol is sourced from PubChem (CID 62383927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).