2-[(Z)-3-hydroxyprop-1-enyl]-3,5-dimethylphenol

C11H14O2 — CID 10797411

IUPAC2-[(Z)-3-hydroxyprop-1-enyl]-3,5-dimethylphenol
SMILESCc1cc(C)c(/C=C\CO)c(O)c1
InChIInChI=1S/C11H14O2/c1-8-6-9(2)10(4-3-5-12)11(13)7-8/h3-4,6-7,12-13H,5H2,1-2H3/b4-3-
InChIKeyBLSSRPRVSJONQR-ARJAWSKDSA-N
MW178.23 g/mol
LogP2.01
Rot. Bonds2

About 2-[(Z)-3-hydroxyprop-1-enyl]-3,5-dimethylphenol

2-[(Z)-3-hydroxyprop-1-enyl]-3,5-dimethylphenol (PubChem CID 10797411) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-[(Z)-3-hydroxyprop-1-enyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name2-[(Z)-3-hydroxyprop-1-enyl]-3,5-dimethylphenol
PubChem CID10797411
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-[(Z)-3-hydroxyprop-1-enyl]-3,5-dimethylphenol
SMILESCc1cc(C)c(/C=C\CO)c(O)c1
InChIInChI=1S/C11H14O2/c1-8-6-9(2)10(4-3-5-12)11(13)7-8/h3-4,6-7,12-13H,5H2,1-2H3/b4-3-
InChIKeyBLSSRPRVSJONQR-ARJAWSKDSA-N
XLogP2.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-hydroxyprop-1-enyl]-3,5-dimethylphenol?
The IUPAC name of 2-[(Z)-3-hydroxyprop-1-enyl]-3,5-dimethylphenol (CID 10797411) is 2-[(Z)-3-hydroxyprop-1-enyl]-3,5-dimethylphenol.
What is the SMILES notation for 2-[(Z)-3-hydroxyprop-1-enyl]-3,5-dimethylphenol?
The canonical SMILES for 2-[(Z)-3-hydroxyprop-1-enyl]-3,5-dimethylphenol is Cc1cc(C)c(/C=C\CO)c(O)c1.
What is the InChIKey of 2-[(Z)-3-hydroxyprop-1-enyl]-3,5-dimethylphenol?
The InChIKey is BLSSRPRVSJONQR-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H14O2/c1-8-6-9(2)10(4-3-5-12)11(13)7-8/h3-4,6-7,12-13H,5H2,1-2H3/b4-3-.
What are the key properties of 2-[(Z)-3-hydroxyprop-1-enyl]-3,5-dimethylphenol?
2-[(Z)-3-hydroxyprop-1-enyl]-3,5-dimethylphenol has a molecular weight of 178.23 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-hydroxyprop-1-enyl]-3,5-dimethylphenol is sourced from PubChem (CID 10797411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).