(E,1R)-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-ol

C18H20O — CID 102145050

IUPAC(E,1R)-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-ol
SMILESCc1cc(C)c([C@H](O)/C=C/c2ccccc2)c(C)c1
InChIInChI=1S/C18H20O/c1-13-11-14(2)18(15(3)12-13)17(19)10-9-16-7-5-4-6-8-16/h4-12,17,19H,1-3H3/b10-9+/t17-/m1/s1
InChIKeyXCOZBAWKMUIJMY-OAGJVSPASA-N
MW252.36 g/mol
LogP4.36
Rot. Bonds3

About (E,1R)-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-ol

(E,1R)-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-ol (PubChem CID 102145050) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is (E,1R)-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E,1R)-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-ol
PubChem CID102145050
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name(E,1R)-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-ol
SMILESCc1cc(C)c([C@H](O)/C=C/c2ccccc2)c(C)c1
InChIInChI=1S/C18H20O/c1-13-11-14(2)18(15(3)12-13)17(19)10-9-16-7-5-4-6-8-16/h4-12,17,19H,1-3H3/b10-9+/t17-/m1/s1
InChIKeyXCOZBAWKMUIJMY-OAGJVSPASA-N
XLogP4.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E,1R)-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-ol?
The IUPAC name of (E,1R)-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-ol (CID 102145050) is (E,1R)-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-ol.
What is the SMILES notation for (E,1R)-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-ol?
The canonical SMILES for (E,1R)-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-ol is Cc1cc(C)c([C@H](O)/C=C/c2ccccc2)c(C)c1.
What is the InChIKey of (E,1R)-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-ol?
The InChIKey is XCOZBAWKMUIJMY-OAGJVSPASA-N. The full InChI is InChI=1S/C18H20O/c1-13-11-14(2)18(15(3)12-13)17(19)10-9-16-7-5-4-6-8-16/h4-12,17,19H,1-3H3/b10-9+/t17-/m1/s1.
What are the key properties of (E,1R)-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-ol?
(E,1R)-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-ol has a molecular weight of 252.36 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 102145050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).