(E,1R)-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylprop-2-en-1-ol

C20H24O — CID 102145051

IUPAC(E,1R)-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylprop-2-en-1-ol
SMILESCc1c(C)c(C)c([C@H](O)/C=C/c2ccccc2)c(C)c1C
InChIInChI=1S/C20H24O/c1-13-14(2)16(4)20(17(5)15(13)3)19(21)12-11-18-9-7-6-8-10-18/h6-12,19,21H,1-5H3/b12-11+/t19-/m1/s1
InChIKeyDYNXLCFBVVPILH-TZZQJPOUSA-N
MW280.41 g/mol
LogP4.98
Rot. Bonds3

About (E,1R)-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylprop-2-en-1-ol

(E,1R)-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylprop-2-en-1-ol (PubChem CID 102145051) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is (E,1R)-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylprop-2-en-1-ol.

Molecular Properties

Compound Name(E,1R)-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylprop-2-en-1-ol
PubChem CID102145051
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name(E,1R)-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylprop-2-en-1-ol
SMILESCc1c(C)c(C)c([C@H](O)/C=C/c2ccccc2)c(C)c1C
InChIInChI=1S/C20H24O/c1-13-14(2)16(4)20(17(5)15(13)3)19(21)12-11-18-9-7-6-8-10-18/h6-12,19,21H,1-5H3/b12-11+/t19-/m1/s1
InChIKeyDYNXLCFBVVPILH-TZZQJPOUSA-N
XLogP4.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E,1R)-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylprop-2-en-1-ol?
The IUPAC name of (E,1R)-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylprop-2-en-1-ol (CID 102145051) is (E,1R)-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylprop-2-en-1-ol.
What is the SMILES notation for (E,1R)-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylprop-2-en-1-ol?
The canonical SMILES for (E,1R)-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylprop-2-en-1-ol is Cc1c(C)c(C)c([C@H](O)/C=C/c2ccccc2)c(C)c1C.
What is the InChIKey of (E,1R)-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylprop-2-en-1-ol?
The InChIKey is DYNXLCFBVVPILH-TZZQJPOUSA-N. The full InChI is InChI=1S/C20H24O/c1-13-14(2)16(4)20(17(5)15(13)3)19(21)12-11-18-9-7-6-8-10-18/h6-12,19,21H,1-5H3/b12-11+/t19-/m1/s1.
What are the key properties of (E,1R)-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylprop-2-en-1-ol?
(E,1R)-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylprop-2-en-1-ol has a molecular weight of 280.41 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylprop-2-en-1-ol is sourced from PubChem (CID 102145051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).