ethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene

C19H24O3 — CID 66741878

IUPACethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene
SMILESC=COc1ccc(C(C)(C)c2ccccc2)cc1.OCCO
InChIInChI=1S/C17H18O.C2H6O2/c1-4-18-16-12-10-15(11-13-16)17(2,3)14-8-6-5-7-9-14;3-1-2-4/h4-13H,1H2,2-3H3;3-4H,1-2H2
InChIKeyNRJFEJUOSJYSJH-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.51
Rot. Bonds5

About ethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene

ethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene (PubChem CID 66741878) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is ethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene.

Molecular Properties

Compound Nameethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene
PubChem CID66741878
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Nameethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene
SMILESC=COc1ccc(C(C)(C)c2ccccc2)cc1.OCCO
InChIInChI=1S/C17H18O.C2H6O2/c1-4-18-16-12-10-15(11-13-16)17(2,3)14-8-6-5-7-9-14;3-1-2-4/h4-13H,1H2,2-3H3;3-4H,1-2H2
InChIKeyNRJFEJUOSJYSJH-UHFFFAOYSA-N
XLogP3.51
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene
CID 139631745
3-[4-[2-[4-(3-hydroxy-1-phenoxypropoxy)phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-1-ol
CID 3035140
2-phenylpropan-2-ylbenzene
CID 13065
4-[4-(2-phenylpropan-2-yl)phenoxy]butyl prop-2-enoate
CID 175070741
[4-(2-phenylpropan-2-yl)phenoxy]methanediol
CID 134502712
11-[4-(2-phenylpropan-2-yl)phenoxy]undecyl prop-2-enoate
CID 164916146
1-propa-1,2-dienoxy-4-[2-(4-propa-1,2-dienoxyphenyl)propan-2-yl]benzene
CID 14597339
3-[4-(2-phenylpropan-2-yl)phenoxy]-N-prop-2-enylpropan-1-amine
CID 2581421
(4-ethenoxyphenyl)methanol
CID 11159400
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
4-[2-(2-ethenoxyphenyl)propan-2-yl]phenol
CID 69283924
2-[4-(2-phenylpropan-2-yl)phenoxy]phenol
CID 57058375

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene?
The IUPAC name of ethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene (CID 66741878) is ethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene.
What is the SMILES notation for ethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene?
The canonical SMILES for ethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene is C=COc1ccc(C(C)(C)c2ccccc2)cc1.OCCO.
What is the InChIKey of ethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene?
The InChIKey is NRJFEJUOSJYSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O.C2H6O2/c1-4-18-16-12-10-15(11-13-16)17(2,3)14-8-6-5-7-9-14;3-1-2-4/h4-13H,1H2,2-3H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene?
ethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene has a molecular weight of 300.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene is sourced from PubChem (CID 66741878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).