2-[3,3-bis(2-methylphenyl)prop-2-enoxy]ethanol

C19H22O2 — CID 10517034

IUPAC2-[3,3-bis(2-methylphenyl)prop-2-enoxy]ethanol
SMILESCc1ccccc1C(=CCOCCO)c1ccccc1C
InChIInChI=1S/C19H22O2/c1-15-7-3-5-9-17(15)19(11-13-21-14-12-20)18-10-6-4-8-16(18)2/h3-11,20H,12-14H2,1-2H3
InChIKeyMVQFHLLUYXLOPC-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.74
Rot. Bonds6

About 2-[3,3-bis(2-methylphenyl)prop-2-enoxy]ethanol

2-[3,3-bis(2-methylphenyl)prop-2-enoxy]ethanol (PubChem CID 10517034) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[3,3-bis(2-methylphenyl)prop-2-enoxy]ethanol.

Molecular Properties

Compound Name2-[3,3-bis(2-methylphenyl)prop-2-enoxy]ethanol
PubChem CID10517034
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2-[3,3-bis(2-methylphenyl)prop-2-enoxy]ethanol
SMILESCc1ccccc1C(=CCOCCO)c1ccccc1C
InChIInChI=1S/C19H22O2/c1-15-7-3-5-9-17(15)19(11-13-21-14-12-20)18-10-6-4-8-16(18)2/h3-11,20H,12-14H2,1-2H3
InChIKeyMVQFHLLUYXLOPC-UHFFFAOYSA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3,3-bis(2-methylphenyl)prop-2-enoxy]ethanol?
The IUPAC name of 2-[3,3-bis(2-methylphenyl)prop-2-enoxy]ethanol (CID 10517034) is 2-[3,3-bis(2-methylphenyl)prop-2-enoxy]ethanol.
What is the SMILES notation for 2-[3,3-bis(2-methylphenyl)prop-2-enoxy]ethanol?
The canonical SMILES for 2-[3,3-bis(2-methylphenyl)prop-2-enoxy]ethanol is Cc1ccccc1C(=CCOCCO)c1ccccc1C.
What is the InChIKey of 2-[3,3-bis(2-methylphenyl)prop-2-enoxy]ethanol?
The InChIKey is MVQFHLLUYXLOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-15-7-3-5-9-17(15)19(11-13-21-14-12-20)18-10-6-4-8-16(18)2/h3-11,20H,12-14H2,1-2H3.
What are the key properties of 2-[3,3-bis(2-methylphenyl)prop-2-enoxy]ethanol?
2-[3,3-bis(2-methylphenyl)prop-2-enoxy]ethanol has a molecular weight of 282.38 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-bis(2-methylphenyl)prop-2-enoxy]ethanol is sourced from PubChem (CID 10517034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).