phenol;propylbenzene

C15H18O — CID 18469730

IUPACphenol;propylbenzene
SMILESCCCc1ccccc1.Oc1ccccc1
InChIInChI=1S/C9H12.C6H6O/c1-2-6-9-7-4-3-5-8-9;7-6-4-2-1-3-5-6/h3-5,7-8H,2,6H2,1H3;1-5,7H
InChIKeyWJSBIDKGPLWKBH-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.03
Rot. Bonds2

About phenol;propylbenzene

phenol;propylbenzene (PubChem CID 18469730) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is phenol;propylbenzene.

Molecular Properties

Compound Namephenol;propylbenzene
PubChem CID18469730
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Namephenol;propylbenzene
SMILESCCCc1ccccc1.Oc1ccccc1
InChIInChI=1S/C9H12.C6H6O/c1-2-6-9-7-4-3-5-8-9;7-6-4-2-1-3-5-6/h3-5,7-8H,2,6H2,1H3;1-5,7H
InChIKeyWJSBIDKGPLWKBH-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-(4-hydroxyphenyl)phenol;propylbenzene
CID 174751919
phenol;3-propylphenol
CID 66960022
4-butylphenol;phenol;4-propylphenol
CID 157420199
propylbenzene tetraiodide
CID 23321652
propylbenzene;hydrobromide
CID 70024036
4-propylphenol;toluene
CID 174488913
dodecylbenzene;phenol
CID 159734519
potassium;hydride;propylbenzene
CID 174749122
benzene;phenol;propane
CID 157176896
lithium;ethyne;propylbenzene
CID 174833014
butylbenzene;propylbenzene
CID 142022125
carbanide;ethane;lanthanum;propane;propylbenzene
CID 161064679

Frequently Asked Questions

What is the IUPAC name of phenol;propylbenzene?
The IUPAC name of phenol;propylbenzene (CID 18469730) is phenol;propylbenzene.
What is the SMILES notation for phenol;propylbenzene?
The canonical SMILES for phenol;propylbenzene is CCCc1ccccc1.Oc1ccccc1.
What is the InChIKey of phenol;propylbenzene?
The InChIKey is WJSBIDKGPLWKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C6H6O/c1-2-6-9-7-4-3-5-8-9;7-6-4-2-1-3-5-6/h3-5,7-8H,2,6H2,1H3;1-5,7H.
What are the key properties of phenol;propylbenzene?
phenol;propylbenzene has a molecular weight of 214.31 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;propylbenzene is sourced from PubChem (CID 18469730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).