4-[4-(4-methylcyclohexyl)oxyphenyl]but-3-yn-1-ol

C17H22O2 — CID 64775264

IUPAC4-[4-(4-methylcyclohexyl)oxyphenyl]but-3-yn-1-ol
SMILESCC1CCC(Oc2ccc(C#CCCO)cc2)CC1
InChIInChI=1S/C17H22O2/c1-14-5-9-16(10-6-14)19-17-11-7-15(8-12-17)4-2-3-13-18/h7-8,11-12,14,16,18H,3,5-6,9-10,13H2,1H3
InChIKeyGGEZRHPNCPHLJT-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.38
Rot. Bonds3

About 4-[4-(4-methylcyclohexyl)oxyphenyl]but-3-yn-1-ol

4-[4-(4-methylcyclohexyl)oxyphenyl]but-3-yn-1-ol (PubChem CID 64775264) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-[4-(4-methylcyclohexyl)oxyphenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[4-(4-methylcyclohexyl)oxyphenyl]but-3-yn-1-ol
PubChem CID64775264
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name4-[4-(4-methylcyclohexyl)oxyphenyl]but-3-yn-1-ol
SMILESCC1CCC(Oc2ccc(C#CCCO)cc2)CC1
InChIInChI=1S/C17H22O2/c1-14-5-9-16(10-6-14)19-17-11-7-15(8-12-17)4-2-3-13-18/h7-8,11-12,14,16,18H,3,5-6,9-10,13H2,1H3
InChIKeyGGEZRHPNCPHLJT-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
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

4-[4-(oxan-4-yloxy)phenyl]but-3-yn-1-ol
CID 63936692
4-[4-(2-ethylcyclohexyl)oxyphenyl]but-3-yn-1-ol
CID 63862384
4-(4-propoxyphenyl)but-3-yn-1-ol
CID 60800610
[4-(4-chlorobut-1-ynyl)phenoxy]cycloheptane
CID 82922202
4-[4-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol
CID 60801474
[4-(4-hydroxybut-1-ynyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 60817460
1-ethyl-4-(4-methylcyclohexyl)oxybenzene
CID 21137256
4-[4-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]but-3-yn-1-ol
CID 64738452
4-(4-cyclohexyloxy-2-methylphenyl)but-3-yn-1-ol
CID 83134165
1-(1-methylimidazol-2-yl)ethanol;4-[4-[4-(oxan-4-yloxy)phenyl]phenyl]but-3-yn-1-ol
CID 170792492
[4-(3-chloroprop-1-ynyl)phenoxy]cycloheptane
CID 82922764
4-[4-[4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]azetidin-3-yl]oxyphenyl]phenyl]but-3-yn-1-ol
CID 177228140

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylcyclohexyl)oxyphenyl]but-3-yn-1-ol?
The IUPAC name of 4-[4-(4-methylcyclohexyl)oxyphenyl]but-3-yn-1-ol (CID 64775264) is 4-[4-(4-methylcyclohexyl)oxyphenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[4-(4-methylcyclohexyl)oxyphenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[4-(4-methylcyclohexyl)oxyphenyl]but-3-yn-1-ol is CC1CCC(Oc2ccc(C#CCCO)cc2)CC1.
What is the InChIKey of 4-[4-(4-methylcyclohexyl)oxyphenyl]but-3-yn-1-ol?
The InChIKey is GGEZRHPNCPHLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-14-5-9-16(10-6-14)19-17-11-7-15(8-12-17)4-2-3-13-18/h7-8,11-12,14,16,18H,3,5-6,9-10,13H2,1H3.
What are the key properties of 4-[4-(4-methylcyclohexyl)oxyphenyl]but-3-yn-1-ol?
4-[4-(4-methylcyclohexyl)oxyphenyl]but-3-yn-1-ol has a molecular weight of 258.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylcyclohexyl)oxyphenyl]but-3-yn-1-ol is sourced from PubChem (CID 64775264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).