benzene;butan-1-ol;toluene

C17H24O — CID 163426889

IUPACbenzene;butan-1-ol;toluene
SMILESCCCCO.Cc1ccccc1.c1ccccc1
InChIInChI=1S/C7H8.C6H6.C4H10O/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2-3-4-5/h2-6H,1H3;1-6H;5H,2-4H2,1H3
InChIKeyANHSEIAETPSGND-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.46
Rot. Bonds2

About benzene;butan-1-ol;toluene

benzene;butan-1-ol;toluene (PubChem CID 163426889) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is benzene;butan-1-ol;toluene.

Molecular Properties

Compound Namebenzene;butan-1-ol;toluene
PubChem CID163426889
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Namebenzene;butan-1-ol;toluene
SMILESCCCCO.Cc1ccccc1.c1ccccc1
InChIInChI=1S/C7H8.C6H6.C4H10O/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2-3-4-5/h2-6H,1H3;1-6H;5H,2-4H2,1H3
InChIKeyANHSEIAETPSGND-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;butan-1-ol;toluene?
The IUPAC name of benzene;butan-1-ol;toluene (CID 163426889) is benzene;butan-1-ol;toluene.
What is the SMILES notation for benzene;butan-1-ol;toluene?
The canonical SMILES for benzene;butan-1-ol;toluene is CCCCO.Cc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;butan-1-ol;toluene?
The InChIKey is ANHSEIAETPSGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H6.C4H10O/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2-3-4-5/h2-6H,1H3;1-6H;5H,2-4H2,1H3.
What are the key properties of benzene;butan-1-ol;toluene?
benzene;butan-1-ol;toluene has a molecular weight of 244.38 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;butan-1-ol;toluene is sourced from PubChem (CID 163426889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).