ethane;4-(4-hydroxyphenyl)phenol;propylbenzene

C23H28O2 — CID 174751919

IUPACethane;4-(4-hydroxyphenyl)phenol;propylbenzene
SMILESCC.CCCc1ccccc1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C12H10O2.C9H12.C2H6/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2-6-9-7-4-3-5-8-9;1-2/h1-8,13-14H;3-5,7-8H,2,6H2,1H3;1-2H3
InChIKeyKNDNBTNZTANEEJ-UHFFFAOYSA-N
MW336.48 g/mol
LogP6.43
Rot. Bonds3

About ethane;4-(4-hydroxyphenyl)phenol;propylbenzene

ethane;4-(4-hydroxyphenyl)phenol;propylbenzene (PubChem CID 174751919) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is ethane;4-(4-hydroxyphenyl)phenol;propylbenzene.

Molecular Properties

Compound Nameethane;4-(4-hydroxyphenyl)phenol;propylbenzene
PubChem CID174751919
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Nameethane;4-(4-hydroxyphenyl)phenol;propylbenzene
SMILESCC.CCCc1ccccc1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C12H10O2.C9H12.C2H6/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2-6-9-7-4-3-5-8-9;1-2/h1-8,13-14H;3-5,7-8H,2,6H2,1H3;1-2H3
InChIKeyKNDNBTNZTANEEJ-UHFFFAOYSA-N
XLogP6.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

phenol;propylbenzene
CID 18469730
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4-[3-[4-(4-propylphenyl)phenyl]propyl]phenol
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4-butylphenol;phenol;4-propylphenol
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propylbenzene tetraiodide
CID 23321652
propylbenzene;hydrobromide
CID 70024036
CID 175306290
CID 175306290
magnesium;1-phenyl-4-propylbenzene;bromide
CID 172966719
ethane;ethylbenzene;propylbenzene
CID 153343160
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CID 161064679
ethane;ethylbenzene;propylbenzene
CID 144852867
1-bromopropane;propylbenzene
CID 158382353

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-hydroxyphenyl)phenol;propylbenzene?
The IUPAC name of ethane;4-(4-hydroxyphenyl)phenol;propylbenzene (CID 174751919) is ethane;4-(4-hydroxyphenyl)phenol;propylbenzene.
What is the SMILES notation for ethane;4-(4-hydroxyphenyl)phenol;propylbenzene?
The canonical SMILES for ethane;4-(4-hydroxyphenyl)phenol;propylbenzene is CC.CCCc1ccccc1.Oc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of ethane;4-(4-hydroxyphenyl)phenol;propylbenzene?
The InChIKey is KNDNBTNZTANEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.C9H12.C2H6/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2-6-9-7-4-3-5-8-9;1-2/h1-8,13-14H;3-5,7-8H,2,6H2,1H3;1-2H3.
What are the key properties of ethane;4-(4-hydroxyphenyl)phenol;propylbenzene?
ethane;4-(4-hydroxyphenyl)phenol;propylbenzene has a molecular weight of 336.48 g/mol, XLogP of 6.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-hydroxyphenyl)phenol;propylbenzene is sourced from PubChem (CID 174751919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).