ethane;3-ethenyl-4-(1-hydroxyethenyl)phenol

C12H16O2 — CID 143407127

IUPACethane;3-ethenyl-4-(1-hydroxyethenyl)phenol
SMILESC=Cc1cc(O)ccc1C(=C)O.CC
InChIInChI=1S/C10H10O2.C2H6/c1-3-8-6-9(12)4-5-10(8)7(2)11;1-2/h3-6,11-12H,1-2H2;1-2H3
InChIKeyMRUCMLCBJVQMNE-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.59
Rot. Bonds2

About ethane;3-ethenyl-4-(1-hydroxyethenyl)phenol

ethane;3-ethenyl-4-(1-hydroxyethenyl)phenol (PubChem CID 143407127) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is ethane;3-ethenyl-4-(1-hydroxyethenyl)phenol.

Molecular Properties

Compound Nameethane;3-ethenyl-4-(1-hydroxyethenyl)phenol
PubChem CID143407127
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Nameethane;3-ethenyl-4-(1-hydroxyethenyl)phenol
SMILESC=Cc1cc(O)ccc1C(=C)O.CC
InChIInChI=1S/C10H10O2.C2H6/c1-3-8-6-9(12)4-5-10(8)7(2)11;1-2/h3-6,11-12H,1-2H2;1-2H3
InChIKeyMRUCMLCBJVQMNE-UHFFFAOYSA-N
XLogP3.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-hydroxyethenyl)benzene-1,3-diol
CID 89199480
4-ethenylbenzene-1,3-diol
CID 10374511
3-[(Z)-but-2-en-2-yl]-4-ethenylphenol
CID 89213419
3-ethenyl-4-(ethylideneamino)phenol
CID 144863689
3-ethenyl-5-[1-(4-hydroxy-2-methylphenyl)ethylideneamino]-4-methylphenol
CID 154672850
3-ethenyl-4-nitrophenol
CID 18352402
ethane;4-hydroxyphthalaldehyde
CID 90973394
2-ethenylterephthalic acid
CID 21087698
ethane;ethene;4-ethenylphenol
CID 178000559
4-[2-(4-carboxy-3-ethenylphenyl)propan-2-yl]-2-ethenylbenzoic acid
CID 139981573
3-ethenyl-4-[2-(3-hydroxyphenyl)ethenyl]phenol
CID 174056763
2-ethenyl-4-iodobenzoic acid
CID 147251599

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenyl-4-(1-hydroxyethenyl)phenol?
The IUPAC name of ethane;3-ethenyl-4-(1-hydroxyethenyl)phenol (CID 143407127) is ethane;3-ethenyl-4-(1-hydroxyethenyl)phenol.
What is the SMILES notation for ethane;3-ethenyl-4-(1-hydroxyethenyl)phenol?
The canonical SMILES for ethane;3-ethenyl-4-(1-hydroxyethenyl)phenol is C=Cc1cc(O)ccc1C(=C)O.CC.
What is the InChIKey of ethane;3-ethenyl-4-(1-hydroxyethenyl)phenol?
The InChIKey is MRUCMLCBJVQMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.C2H6/c1-3-8-6-9(12)4-5-10(8)7(2)11;1-2/h3-6,11-12H,1-2H2;1-2H3.
What are the key properties of ethane;3-ethenyl-4-(1-hydroxyethenyl)phenol?
ethane;3-ethenyl-4-(1-hydroxyethenyl)phenol has a molecular weight of 192.26 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-4-(1-hydroxyethenyl)phenol is sourced from PubChem (CID 143407127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).