methyl 2-(4-hydroxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate

C10H12O3 — CID 139765776

IUPACmethyl 2-(4-hydroxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate
SMILESC=C1C=C(O)C=CC1CC(=O)OC
InChIInChI=1S/C10H12O3/c1-7-5-9(11)4-3-8(7)6-10(12)13-2/h3-5,8,11H,1,6H2,2H3
InChIKeyFCOZEUPBRLJIJI-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.73
Rot. Bonds2

About methyl 2-(4-hydroxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate

methyl 2-(4-hydroxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate (PubChem CID 139765776) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is methyl 2-(4-hydroxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate
PubChem CID139765776
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namemethyl 2-(4-hydroxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate
SMILESC=C1C=C(O)C=CC1CC(=O)OC
InChIInChI=1S/C10H12O3/c1-7-5-9(11)4-3-8(7)6-10(12)13-2/h3-5,8,11H,1,6H2,2H3
InChIKeyFCOZEUPBRLJIJI-UHFFFAOYSA-N
XLogP1.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate?
The IUPAC name of methyl 2-(4-hydroxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate (CID 139765776) is methyl 2-(4-hydroxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-hydroxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate?
The canonical SMILES for methyl 2-(4-hydroxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate is C=C1C=C(O)C=CC1CC(=O)OC.
What is the InChIKey of methyl 2-(4-hydroxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate?
The InChIKey is FCOZEUPBRLJIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7-5-9(11)4-3-8(7)6-10(12)13-2/h3-5,8,11H,1,6H2,2H3.
What are the key properties of methyl 2-(4-hydroxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate?
methyl 2-(4-hydroxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate has a molecular weight of 180.20 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate is sourced from PubChem (CID 139765776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).