4-oct-7-ynoxyphenol

C14H18O2 — CID 166068897

IUPAC4-oct-7-ynoxyphenol
SMILESC#CCCCCCCOc1ccc(O)cc1
InChIInChI=1S/C14H18O2/c1-2-3-4-5-6-7-12-16-14-10-8-13(15)9-11-14/h1,8-11,15H,3-7,12H2
InChIKeyWMPWBJFTNRKISN-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.35
Rot. Bonds7

About 4-oct-7-ynoxyphenol

4-oct-7-ynoxyphenol (PubChem CID 166068897) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-oct-7-ynoxyphenol.

Molecular Properties

Compound Name4-oct-7-ynoxyphenol
PubChem CID166068897
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name4-oct-7-ynoxyphenol
SMILESC#CCCCCCCOc1ccc(O)cc1
InChIInChI=1S/C14H18O2/c1-2-3-4-5-6-7-12-16-14-10-8-13(15)9-11-14/h1,8-11,15H,3-7,12H2
InChIKeyWMPWBJFTNRKISN-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-but-3-ynoxyphenol
CID 43143414
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
1-pent-4-ynoxy-4-(4-pent-4-ynoxyphenyl)benzene
CID 71601135
4-[4-(4-oct-7-ynoxyphenyl)phenyl]benzonitrile
CID 102424245
4-hex-5-ynoxybenzaldehyde
CID 57323405
4-octadecoxyphenol
CID 22179059
1-chloro-4-pent-4-ynoxybenzene
CID 15045663
3-hex-5-ynoxy-5-methylphenol
CID 142382541
4-hex-5-ynylphenol
CID 57017848
1-tert-butyl-4-pent-4-ynoxybenzene
CID 19983623
4-(7-trimethylsilylheptoxy)phenol
CID 169298048
4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid
CID 71331211

Frequently Asked Questions

What is the IUPAC name of 4-oct-7-ynoxyphenol?
The IUPAC name of 4-oct-7-ynoxyphenol (CID 166068897) is 4-oct-7-ynoxyphenol.
What is the SMILES notation for 4-oct-7-ynoxyphenol?
The canonical SMILES for 4-oct-7-ynoxyphenol is C#CCCCCCCOc1ccc(O)cc1.
What is the InChIKey of 4-oct-7-ynoxyphenol?
The InChIKey is WMPWBJFTNRKISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-3-4-5-6-7-12-16-14-10-8-13(15)9-11-14/h1,8-11,15H,3-7,12H2.
What are the key properties of 4-oct-7-ynoxyphenol?
4-oct-7-ynoxyphenol has a molecular weight of 218.30 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oct-7-ynoxyphenol is sourced from PubChem (CID 166068897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).