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

C17H22O2 — CID 83134165

IUPAC4-(4-cyclohexyloxy-2-methylphenyl)but-3-yn-1-ol
SMILESCc1cc(OC2CCCCC2)ccc1C#CCCO
InChIInChI=1S/C17H22O2/c1-14-13-17(19-16-8-3-2-4-9-16)11-10-15(14)7-5-6-12-18/h10-11,13,16,18H,2-4,6,8-9,12H2,1H3
InChIKeyVKPJKOGVHHNBBQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.44
Rot. Bonds3

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

4-(4-cyclohexyloxy-2-methylphenyl)but-3-yn-1-ol (PubChem CID 83134165) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-(4-cyclohexyloxy-2-methylphenyl)but-3-yn-1-ol.

Molecular Properties

Compound Name4-(4-cyclohexyloxy-2-methylphenyl)but-3-yn-1-ol
PubChem CID83134165
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name4-(4-cyclohexyloxy-2-methylphenyl)but-3-yn-1-ol
SMILESCc1cc(OC2CCCCC2)ccc1C#CCCO
InChIInChI=1S/C17H22O2/c1-14-13-17(19-16-8-3-2-4-9-16)11-10-15(14)7-5-6-12-18/h10-11,13,16,18H,2-4,6,8-9,12H2,1H3
InChIKeyVKPJKOGVHHNBBQ-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.44
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

1-(4-chlorobut-1-ynyl)-4-cyclopentyloxy-2-methylbenzene
CID 83134964
3-(4-cycloheptyloxy-2-fluorophenyl)prop-2-yn-1-ol
CID 82922940
4-(4-hexoxy-2-methylphenyl)but-3-yn-1-ol
CID 83135333
4-[4-(3-chloroprop-1-ynyl)-3-methylphenoxy]oxane
CID 83135190
4-(2,4-dimethylphenyl)but-3-yn-1-ol
CID 60801281
3-[4-(4-chlorobut-1-ynyl)-3-methylphenoxy]oxolane
CID 83134329
4-(2-methyl-4-phenylmethoxyphenyl)but-3-yn-1-ol
CID 83134790
4-[4-(2-ethoxyethoxy)-2-methylphenyl]but-3-yn-1-ol
CID 83134632
4-[[4-(4-hydroxybut-1-ynyl)-3-methylphenoxy]methyl]phenol
CID 83137384
1-(4-chlorobut-1-ynyl)-4-(cyclohexylmethoxy)-2-methylbenzene
CID 83134803
4-[2-methyl-4-(2-methylbutoxy)phenyl]but-3-yn-1-ol
CID 83135257
4-[4-(4-methylcyclohexyl)oxyphenyl]but-3-yn-1-ol
CID 64775264

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyloxy-2-methylphenyl)but-3-yn-1-ol?
The IUPAC name of 4-(4-cyclohexyloxy-2-methylphenyl)but-3-yn-1-ol (CID 83134165) is 4-(4-cyclohexyloxy-2-methylphenyl)but-3-yn-1-ol.
What is the SMILES notation for 4-(4-cyclohexyloxy-2-methylphenyl)but-3-yn-1-ol?
The canonical SMILES for 4-(4-cyclohexyloxy-2-methylphenyl)but-3-yn-1-ol is Cc1cc(OC2CCCCC2)ccc1C#CCCO.
What is the InChIKey of 4-(4-cyclohexyloxy-2-methylphenyl)but-3-yn-1-ol?
The InChIKey is VKPJKOGVHHNBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-14-13-17(19-16-8-3-2-4-9-16)11-10-15(14)7-5-6-12-18/h10-11,13,16,18H,2-4,6,8-9,12H2,1H3.
What are the key properties of 4-(4-cyclohexyloxy-2-methylphenyl)but-3-yn-1-ol?
4-(4-cyclohexyloxy-2-methylphenyl)but-3-yn-1-ol has a molecular weight of 258.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyloxy-2-methylphenyl)but-3-yn-1-ol is sourced from PubChem (CID 83134165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).