4-hexoxy-2-prop-2-enylphenol;methane

C16H26O2 — CID 70388285

IUPAC4-hexoxy-2-prop-2-enylphenol;methane
SMILESC.C=CCc1cc(OCCCCCC)ccc1O
InChIInChI=1S/C15H22O2.CH4/c1-3-5-6-7-11-17-14-9-10-15(16)13(12-14)8-4-2;/h4,9-10,12,16H,2-3,5-8,11H2,1H3;1H4
InChIKeyNNNOAYHBKLSCNE-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.72
Rot. Bonds8

About 4-hexoxy-2-prop-2-enylphenol;methane

4-hexoxy-2-prop-2-enylphenol;methane (PubChem CID 70388285) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 4-hexoxy-2-prop-2-enylphenol;methane.

Molecular Properties

Compound Name4-hexoxy-2-prop-2-enylphenol;methane
PubChem CID70388285
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name4-hexoxy-2-prop-2-enylphenol;methane
SMILESC.C=CCc1cc(OCCCCCC)ccc1O
InChIInChI=1S/C15H22O2.CH4/c1-3-5-6-7-11-17-14-9-10-15(16)13(12-14)8-4-2;/h4,9-10,12,16H,2-3,5-8,11H2,1H3;1H4
InChIKeyNNNOAYHBKLSCNE-UHFFFAOYSA-N
XLogP4.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 70607238
4-butoxy-2-octadecylphenol
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4-(3-methylbutoxy)-2-prop-2-enylphenol
CID 24770421
4-prop-2-enoxy-2-prop-2-enylphenol
CID 45091477
4-hexoxybenzene-1,2-diol
CID 23459322
4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 155030696
4-butoxy-1-prop-2-enyl-2-propoxybenzene
CID 24770089
4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene
CID 24770216
2-tert-butyl-4-tetradecoxyphenol
CID 19014137
1,2-bis(5-decoxy-2-hydroxyphenyl)ethane-1,2-dione
CID 11757389
1-octoxy-3-prop-2-enoxybenzene
CID 14202237
5-hexoxy-2-hydroxybenzoic acid
CID 19036724

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-2-prop-2-enylphenol;methane?
The IUPAC name of 4-hexoxy-2-prop-2-enylphenol;methane (CID 70388285) is 4-hexoxy-2-prop-2-enylphenol;methane.
What is the SMILES notation for 4-hexoxy-2-prop-2-enylphenol;methane?
The canonical SMILES for 4-hexoxy-2-prop-2-enylphenol;methane is C.C=CCc1cc(OCCCCCC)ccc1O.
What is the InChIKey of 4-hexoxy-2-prop-2-enylphenol;methane?
The InChIKey is NNNOAYHBKLSCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2.CH4/c1-3-5-6-7-11-17-14-9-10-15(16)13(12-14)8-4-2;/h4,9-10,12,16H,2-3,5-8,11H2,1H3;1H4.
What are the key properties of 4-hexoxy-2-prop-2-enylphenol;methane?
4-hexoxy-2-prop-2-enylphenol;methane has a molecular weight of 250.38 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-2-prop-2-enylphenol;methane is sourced from PubChem (CID 70388285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).