phenol;3-propylphenol

C15H18O2 — CID 66960022

IUPACphenol;3-propylphenol
SMILESCCCc1cccc(O)c1.Oc1ccccc1
InChIInChI=1S/C9H12O.C6H6O/c1-2-4-8-5-3-6-9(10)7-8;7-6-4-2-1-3-5-6/h3,5-7,10H,2,4H2,1H3;1-5,7H
InChIKeyYAOXJLMSTFYPSQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.74
Rot. Bonds2

About phenol;3-propylphenol

phenol;3-propylphenol (PubChem CID 66960022) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is phenol;3-propylphenol.

Molecular Properties

Compound Namephenol;3-propylphenol
PubChem CID66960022
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Namephenol;3-propylphenol
SMILESCCCc1cccc(O)c1.Oc1ccccc1
InChIInChI=1S/C9H12O.C6H6O/c1-2-4-8-5-3-6-9(10)7-8;7-6-4-2-1-3-5-6/h3,5-7,10H,2,4H2,1H3;1-5,7H
InChIKeyYAOXJLMSTFYPSQ-UHFFFAOYSA-N
XLogP3.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

phenol;propylbenzene
CID 18469730
3-[(4-propylphenyl)methyl]phenol
CID 67607655
3-hentriacontylphenol
CID 101292722
3-octacosylphenol
CID 101292719
ethane;4-(4-hydroxyphenyl)phenol;propylbenzene
CID 174751919
1-phenyl-3-propylbenzene
CID 4110465
4-butylphenol;phenol;4-propylphenol
CID 157420199
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
3-ethylphenol;4-ethylphenol
CID 70541430
3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid
CID 175603484
3-[2-[butyl-[2-(3-hydroxyphenyl)ethyl]amino]ethyl]phenol
CID 122596940
propylbenzene tetraiodide
CID 23321652

Frequently Asked Questions

What is the IUPAC name of phenol;3-propylphenol?
The IUPAC name of phenol;3-propylphenol (CID 66960022) is phenol;3-propylphenol.
What is the SMILES notation for phenol;3-propylphenol?
The canonical SMILES for phenol;3-propylphenol is CCCc1cccc(O)c1.Oc1ccccc1.
What is the InChIKey of phenol;3-propylphenol?
The InChIKey is YAOXJLMSTFYPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C6H6O/c1-2-4-8-5-3-6-9(10)7-8;7-6-4-2-1-3-5-6/h3,5-7,10H,2,4H2,1H3;1-5,7H.
What are the key properties of phenol;3-propylphenol?
phenol;3-propylphenol has a molecular weight of 230.31 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;3-propylphenol is sourced from PubChem (CID 66960022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).