2-benzylphenol;ethane

C17H24O — CID 91068983

IUPAC2-benzylphenol;ethane
SMILESCC.CC.Oc1ccccc1Cc1ccccc1
InChIInChI=1S/C13H12O.2C2H6/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11;2*1-2/h1-9,14H,10H2;2*1-2H3
InChIKeyFGBRLJUMGCGIEZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP5.04
Rot. Bonds2

About 2-benzylphenol;ethane

2-benzylphenol;ethane (PubChem CID 91068983) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-benzylphenol;ethane.

Molecular Properties

Compound Name2-benzylphenol;ethane
PubChem CID91068983
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name2-benzylphenol;ethane
SMILESCC.CC.Oc1ccccc1Cc1ccccc1
InChIInChI=1S/C13H12O.2C2H6/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11;2*1-2/h1-9,14H,10H2;2*1-2H3
InChIKeyFGBRLJUMGCGIEZ-UHFFFAOYSA-N
XLogP5.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.38
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

lithium;2-benzylphenol;hydride
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4-benzyl-5-methylbenzene-1,2-diol
CID 146645349
benzylbenzene;ethane;methoxymethane
CID 159187560
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
2-[(4-propan-2-yloxyphenyl)methyl]phenol
CID 22145956
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CID 159726745

Frequently Asked Questions

What is the IUPAC name of 2-benzylphenol;ethane?
The IUPAC name of 2-benzylphenol;ethane (CID 91068983) is 2-benzylphenol;ethane.
What is the SMILES notation for 2-benzylphenol;ethane?
The canonical SMILES for 2-benzylphenol;ethane is CC.CC.Oc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzylphenol;ethane?
The InChIKey is FGBRLJUMGCGIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O.2C2H6/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11;2*1-2/h1-9,14H,10H2;2*1-2H3.
What are the key properties of 2-benzylphenol;ethane?
2-benzylphenol;ethane has a molecular weight of 244.38 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylphenol;ethane is sourced from PubChem (CID 91068983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).