bis(cyclopenta-1,3-diene);3-methylphenol

C17H20O — CID 67864963

IUPACbis(cyclopenta-1,3-diene);3-methylphenol
SMILESC1=CCC=C1.C1=CCC=C1.Cc1cccc(O)c1
InChIInChI=1S/C7H8O.2C5H6/c1-6-3-2-4-7(8)5-6;2*1-2-4-5-3-1/h2-5,8H,1H3;2*1-4H,5H2
InChIKeyNMHBBRYEBZUWNW-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.71
Rot. Bonds

About bis(cyclopenta-1,3-diene);3-methylphenol

bis(cyclopenta-1,3-diene);3-methylphenol (PubChem CID 67864963) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);3-methylphenol.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);3-methylphenol
PubChem CID67864963
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Namebis(cyclopenta-1,3-diene);3-methylphenol
SMILESC1=CCC=C1.C1=CCC=C1.Cc1cccc(O)c1
InChIInChI=1S/C7H8O.2C5H6/c1-6-3-2-4-7(8)5-6;2*1-2-4-5-3-1/h2-5,8H,1H3;2*1-4H,5H2
InChIKeyNMHBBRYEBZUWNW-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methylphenol
CID 67925627
sodium 3-methylphenol
CID 21278687
carbanide;3-methylphenol;yttrium
CID 161376652
3-methylphenol;sulfuric acid
CID 70180616
3-methylphenol thiocyanate
CID 20976814
bis(4-methylaniline);3-methylphenol
CID 144604707
2,2-dimethylpropane;ethane;3-methylphenol;propane
CID 143588830
3-methylphenol;4-methylphenol;propane
CID 157147188
cyclopenta-1,3-diene;ethane;toluene
CID 90880714
3-methylphenol;pentan-3-one
CID 174814011
cyclopenta-1,3-diene;2,3-dimethylphenol
CID 170171549
3-methylphenol;naphthalen-1-ol
CID 66623772

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);3-methylphenol?
The IUPAC name of bis(cyclopenta-1,3-diene);3-methylphenol (CID 67864963) is bis(cyclopenta-1,3-diene);3-methylphenol.
What is the SMILES notation for bis(cyclopenta-1,3-diene);3-methylphenol?
The canonical SMILES for bis(cyclopenta-1,3-diene);3-methylphenol is C1=CCC=C1.C1=CCC=C1.Cc1cccc(O)c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);3-methylphenol?
The InChIKey is NMHBBRYEBZUWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.2C5H6/c1-6-3-2-4-7(8)5-6;2*1-2-4-5-3-1/h2-5,8H,1H3;2*1-4H,5H2.
What are the key properties of bis(cyclopenta-1,3-diene);3-methylphenol?
bis(cyclopenta-1,3-diene);3-methylphenol has a molecular weight of 240.35 g/mol, XLogP of 4.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);3-methylphenol is sourced from PubChem (CID 67864963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).