bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;methyl 2-methoxyprop-2-enoate

C11H12O4 — CID 175268870

IUPACbicyclo[3.1.0]hexa-1,3,5-trien-2-ol;methyl 2-methoxyprop-2-enoate
SMILESC=C(OC)C(=O)OC.Oc1ccc2cc1-2
InChIInChI=1S/C6H4O.C5H8O3/c7-6-2-1-4-3-5(4)6;1-4(7-2)5(6)8-3/h1-3,7H;1H2,2-3H3
InChIKeyBTHZHJHQXNULEU-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.69
Rot. Bonds2

About bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;methyl 2-methoxyprop-2-enoate

bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;methyl 2-methoxyprop-2-enoate (PubChem CID 175268870) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;methyl 2-methoxyprop-2-enoate.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1,3,5-trien-2-ol;methyl 2-methoxyprop-2-enoate
PubChem CID175268870
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Namebicyclo[3.1.0]hexa-1,3,5-trien-2-ol;methyl 2-methoxyprop-2-enoate
SMILESC=C(OC)C(=O)OC.Oc1ccc2cc1-2
InChIInChI=1S/C6H4O.C5H8O3/c7-6-2-1-4-3-5(4)6;1-4(7-2)5(6)8-3/h1-3,7H;1H2,2-3H3
InChIKeyBTHZHJHQXNULEU-UHFFFAOYSA-N
XLogP1.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;carbononitridic bromide
CID 174721546
methyl 4-hydroxy-3-phenylbenzoate
CID 15066016
bis(4-hydroxyphenyl)methyl 2-methoxyprop-2-enoate
CID 57302242
2-(4-chlorophenyl)-4-methoxyphenol
CID 57199343
4-(5-fluoro-2-hydroxyphenyl)-2-methoxybenzoic acid
CID 53225720
dimethyl oxalate
CID 11120
methyl 2-phenoxyprop-2-enoate;toluene
CID 174856414
2-(3-methoxyphenyl)benzene-1,4-diol
CID 83534427
methyl 3-methoxy-2-methylidenebut-3-enoate
CID 123350799
ethene;2-(4-hydroxy-3-methylphenyl)-4-methylphenol
CID 143337895
methyl 3-[3-(4-chlorophenyl)-4-hydroxyphenyl]propanoate
CID 70423773
bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;1-(diethylamino)hexan-3-one
CID 21485623

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;methyl 2-methoxyprop-2-enoate?
The IUPAC name of bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;methyl 2-methoxyprop-2-enoate (CID 175268870) is bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;methyl 2-methoxyprop-2-enoate.
What is the SMILES notation for bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;methyl 2-methoxyprop-2-enoate?
The canonical SMILES for bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;methyl 2-methoxyprop-2-enoate is C=C(OC)C(=O)OC.Oc1ccc2cc1-2.
What is the InChIKey of bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;methyl 2-methoxyprop-2-enoate?
The InChIKey is BTHZHJHQXNULEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O.C5H8O3/c7-6-2-1-4-3-5(4)6;1-4(7-2)5(6)8-3/h1-3,7H;1H2,2-3H3.
What are the key properties of bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;methyl 2-methoxyprop-2-enoate?
bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;methyl 2-methoxyprop-2-enoate has a molecular weight of 208.21 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;methyl 2-methoxyprop-2-enoate is sourced from PubChem (CID 175268870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).