cyclopenta-1,3-diene;2,3-dimethylphenol

C13H16O — CID 170171549

IUPACcyclopenta-1,3-diene;2,3-dimethylphenol
SMILESC1=CCC=C1.Cc1cccc(O)c1C
InChIInChI=1S/C8H10O.C5H6/c1-6-4-3-5-8(9)7(6)2;1-2-4-5-3-1/h3-5,9H,1-2H3;1-4H,5H2
InChIKeyHCQLXCVVRYTQBS-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.51
Rot. Bonds

About cyclopenta-1,3-diene;2,3-dimethylphenol

cyclopenta-1,3-diene;2,3-dimethylphenol (PubChem CID 170171549) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2,3-dimethylphenol.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2,3-dimethylphenol
PubChem CID170171549
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Namecyclopenta-1,3-diene;2,3-dimethylphenol
SMILESC1=CCC=C1.Cc1cccc(O)c1C
InChIInChI=1S/C8H10O.C5H6/c1-6-4-3-5-8(9)7(6)2;1-2-4-5-3-1/h3-5,9H,1-2H3;1-4H,5H2
InChIKeyHCQLXCVVRYTQBS-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2,3-dimethylphenol?
The IUPAC name of cyclopenta-1,3-diene;2,3-dimethylphenol (CID 170171549) is cyclopenta-1,3-diene;2,3-dimethylphenol.
What is the SMILES notation for cyclopenta-1,3-diene;2,3-dimethylphenol?
The canonical SMILES for cyclopenta-1,3-diene;2,3-dimethylphenol is C1=CCC=C1.Cc1cccc(O)c1C.
What is the InChIKey of cyclopenta-1,3-diene;2,3-dimethylphenol?
The InChIKey is HCQLXCVVRYTQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C5H6/c1-6-4-3-5-8(9)7(6)2;1-2-4-5-3-1/h3-5,9H,1-2H3;1-4H,5H2.
What are the key properties of cyclopenta-1,3-diene;2,3-dimethylphenol?
cyclopenta-1,3-diene;2,3-dimethylphenol has a molecular weight of 188.27 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2,3-dimethylphenol is sourced from PubChem (CID 170171549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).