phenol;4-prop-2-enoxyphenol

C21H22O4 — CID 70303777

IUPACphenol;4-prop-2-enoxyphenol
SMILESC=CCOc1ccc(O)cc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C9H10O2.2C6H6O/c1-2-7-11-9-5-3-8(10)4-6-9;2*7-6-4-2-1-3-5-6/h2-6,10H,1,7H2;2*1-5,7H
InChIKeyMEINGCNVPMBPLZ-UHFFFAOYSA-N
MW338.40 g/mol
LogP4.74
Rot. Bonds3

About phenol;4-prop-2-enoxyphenol

phenol;4-prop-2-enoxyphenol (PubChem CID 70303777) has the molecular formula C21H22O4 and a molecular weight of 338.40 g/mol. Its IUPAC name is phenol;4-prop-2-enoxyphenol.

Molecular Properties

Compound Namephenol;4-prop-2-enoxyphenol
PubChem CID70303777
Molecular FormulaC21H22O4
Molecular Weight338.40 g/mol
Exact Mass338.15
IUPAC Namephenol;4-prop-2-enoxyphenol
SMILESC=CCOc1ccc(O)cc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C9H10O2.2C6H6O/c1-2-7-11-9-5-3-8(10)4-6-9;2*7-6-4-2-1-3-5-6/h2-6,10H,1,7H2;2*1-5,7H
InChIKeyMEINGCNVPMBPLZ-UHFFFAOYSA-N
XLogP4.74
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
4-[(4-prop-2-enoxyphenyl)methyl]phenol
CID 68636078
4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol
CID 118013728
CID 174846151
CID 174846151
phosphoric acid;prop-2-enoxybenzene
CID 66665136
prop-2-enoic acid;prop-2-enoxybenzene
CID 174376278
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
4-hydroxybenzonitrile;4-prop-2-enoxybenzoic acid
CID 175377266
(4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate
CID 175436244
4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol
CID 61237649
2-(2-hydroxyphenyl)phenol;2-(3-hydroxyphenyl)phenol;2-(4-hydroxyphenyl)phenol;3-(3-hydroxyphenyl)phenol;3-(4-hydroxyphenyl)phenol;4-(4-hydroxyphenyl)phenol;2-phenylphenol;4-phenylphenol;1-phenyl-2-prop-2-enoxybenzene;1-phenyl-3-prop-2-enoxybenzene;1-phenyl-4-prop-2-enoxybenzene;1-prop-2-enoxy-2-(4-prop-2-enoxyphenyl)benzene;1-prop-2-enoxy-3-(4-prop-2-enoxyphenyl)benzene;1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)benzene
CID 163613104
1-ethoxy-4-phenylbenzene;phenol
CID 174652155

Frequently Asked Questions

What is the IUPAC name of phenol;4-prop-2-enoxyphenol?
The IUPAC name of phenol;4-prop-2-enoxyphenol (CID 70303777) is phenol;4-prop-2-enoxyphenol.
What is the SMILES notation for phenol;4-prop-2-enoxyphenol?
The canonical SMILES for phenol;4-prop-2-enoxyphenol is C=CCOc1ccc(O)cc1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of phenol;4-prop-2-enoxyphenol?
The InChIKey is MEINGCNVPMBPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.2C6H6O/c1-2-7-11-9-5-3-8(10)4-6-9;2*7-6-4-2-1-3-5-6/h2-6,10H,1,7H2;2*1-5,7H.
What are the key properties of phenol;4-prop-2-enoxyphenol?
phenol;4-prop-2-enoxyphenol has a molecular weight of 338.40 g/mol, XLogP of 4.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;4-prop-2-enoxyphenol is sourced from PubChem (CID 70303777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).