benzene;phenol;prop-1-ene

C15H18O — CID 174830652

IUPACbenzene;phenol;prop-1-ene
SMILESC=CC.Oc1ccccc1.c1ccccc1
InChIInChI=1S/C6H6O.C6H6.C3H6/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-3-2/h1-5,7H;1-6H;3H,1H2,2H3
InChIKeySWWCAILAAUIUBG-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.27
Rot. Bonds

About benzene;phenol;prop-1-ene

benzene;phenol;prop-1-ene (PubChem CID 174830652) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is benzene;phenol;prop-1-ene.

Molecular Properties

Compound Namebenzene;phenol;prop-1-ene
PubChem CID174830652
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Namebenzene;phenol;prop-1-ene
SMILESC=CC.Oc1ccccc1.c1ccccc1
InChIInChI=1S/C6H6O.C6H6.C3H6/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-3-2/h1-5,7H;1-6H;3H,1H2,2H3
InChIKeySWWCAILAAUIUBG-UHFFFAOYSA-N
XLogP4.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

phenol;propane-1,2-diol;prop-1-ene
CID 174392843
chloroethene;phenol
CID 19792278
CID 174853584
CID 174853584
ethane;phenol
CID 161156308
ethene;phenol
CID 22228706
benzene;phenol;prop-2-enoic acid
CID 174875932
phenol;styrene
CID 160675765
phenol;chloride
CID 23313261
phenol;tantalum
CID 19915613
CID 67496590
CID 67496590
CID 161001247
CID 161001247
phenol;phosphane
CID 159689182

Frequently Asked Questions

What is the IUPAC name of benzene;phenol;prop-1-ene?
The IUPAC name of benzene;phenol;prop-1-ene (CID 174830652) is benzene;phenol;prop-1-ene.
What is the SMILES notation for benzene;phenol;prop-1-ene?
The canonical SMILES for benzene;phenol;prop-1-ene is C=CC.Oc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;phenol;prop-1-ene?
The InChIKey is SWWCAILAAUIUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C6H6.C3H6/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-3-2/h1-5,7H;1-6H;3H,1H2,2H3.
What are the key properties of benzene;phenol;prop-1-ene?
benzene;phenol;prop-1-ene has a molecular weight of 214.31 g/mol, XLogP of 4.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;phenol;prop-1-ene is sourced from PubChem (CID 174830652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).