1-[4-(2-ethenoxyethoxy)phenyl]-2,2-dimethylpropane-1,3-diol

C15H22O4 — CID 58165317

IUPAC1-[4-(2-ethenoxyethoxy)phenyl]-2,2-dimethylpropane-1,3-diol
SMILESC=COCCOc1ccc(C(O)C(C)(C)CO)cc1
InChIInChI=1S/C15H22O4/c1-4-18-9-10-19-13-7-5-12(6-8-13)14(17)15(2,3)11-16/h4-8,14,16-17H,1,9-11H2,2-3H3
InChIKeyJHFXQIJUAJGJHW-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.28
Rot. Bonds8

About 1-[4-(2-ethenoxyethoxy)phenyl]-2,2-dimethylpropane-1,3-diol

1-[4-(2-ethenoxyethoxy)phenyl]-2,2-dimethylpropane-1,3-diol (PubChem CID 58165317) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[4-(2-ethenoxyethoxy)phenyl]-2,2-dimethylpropane-1,3-diol.

Molecular Properties

Compound Name1-[4-(2-ethenoxyethoxy)phenyl]-2,2-dimethylpropane-1,3-diol
PubChem CID58165317
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1-[4-(2-ethenoxyethoxy)phenyl]-2,2-dimethylpropane-1,3-diol
SMILESC=COCCOc1ccc(C(O)C(C)(C)CO)cc1
InChIInChI=1S/C15H22O4/c1-4-18-9-10-19-13-7-5-12(6-8-13)14(17)15(2,3)11-16/h4-8,14,16-17H,1,9-11H2,2-3H3
InChIKeyJHFXQIJUAJGJHW-UHFFFAOYSA-N
XLogP2.28
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethenoxyethoxy)-4-methylbenzene
CID 21338012
4-(2-ethenoxyethoxy)benzoic acid
CID 15390034
bis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]phosphane
CID 151425397
3-[4-(2-ethenoxyethoxy)phenyl]prop-2-en-1-ol
CID 123795084
sodium 4-(2-ethenoxyethoxy)benzoate
CID 66850784
N-[4-(2-ethenoxyethoxy)phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 58251088
(1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol
CID 71494810
1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene
CID 57090148
bis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium
CID 59319783
1,5-bis[4-(2-ethenoxyethoxy)phenyl]penta-1,4-dien-3-one
CID 54454949
magnesium;4-(2-ethenoxyethoxy)benzenesulfonic acid;hydride
CID 173129302
1-ethenoxy-3-[4-[2-[4-(3-ethenoxy-2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 69463791

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethenoxyethoxy)phenyl]-2,2-dimethylpropane-1,3-diol?
The IUPAC name of 1-[4-(2-ethenoxyethoxy)phenyl]-2,2-dimethylpropane-1,3-diol (CID 58165317) is 1-[4-(2-ethenoxyethoxy)phenyl]-2,2-dimethylpropane-1,3-diol.
What is the SMILES notation for 1-[4-(2-ethenoxyethoxy)phenyl]-2,2-dimethylpropane-1,3-diol?
The canonical SMILES for 1-[4-(2-ethenoxyethoxy)phenyl]-2,2-dimethylpropane-1,3-diol is C=COCCOc1ccc(C(O)C(C)(C)CO)cc1.
What is the InChIKey of 1-[4-(2-ethenoxyethoxy)phenyl]-2,2-dimethylpropane-1,3-diol?
The InChIKey is JHFXQIJUAJGJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-18-9-10-19-13-7-5-12(6-8-13)14(17)15(2,3)11-16/h4-8,14,16-17H,1,9-11H2,2-3H3.
What are the key properties of 1-[4-(2-ethenoxyethoxy)phenyl]-2,2-dimethylpropane-1,3-diol?
1-[4-(2-ethenoxyethoxy)phenyl]-2,2-dimethylpropane-1,3-diol has a molecular weight of 266.34 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethenoxyethoxy)phenyl]-2,2-dimethylpropane-1,3-diol is sourced from PubChem (CID 58165317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).