(1S)-1-(2-methoxy-3,4,6-trimethylphenyl)-2-methyl-1-phenylpropan-1-ol

C20H26O2 — CID 129384114

IUPAC(1S)-1-(2-methoxy-3,4,6-trimethylphenyl)-2-methyl-1-phenylpropan-1-ol
SMILESCOc1c(C)c(C)cc(C)c1[C@@](O)(c1ccccc1)C(C)C
InChIInChI=1S/C20H26O2/c1-13(2)20(21,17-10-8-7-9-11-17)18-15(4)12-14(3)16(5)19(18)22-6/h7-13,21H,1-6H3/t20-/m0/s1
InChIKeyHTBWEVIOJJHSSY-FQEVSTJZSA-N
MW298.43 g/mol
LogP4.51
Rot. Bonds4

About (1S)-1-(2-methoxy-3,4,6-trimethylphenyl)-2-methyl-1-phenylpropan-1-ol

(1S)-1-(2-methoxy-3,4,6-trimethylphenyl)-2-methyl-1-phenylpropan-1-ol (PubChem CID 129384114) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is (1S)-1-(2-methoxy-3,4,6-trimethylphenyl)-2-methyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-(2-methoxy-3,4,6-trimethylphenyl)-2-methyl-1-phenylpropan-1-ol
PubChem CID129384114
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name(1S)-1-(2-methoxy-3,4,6-trimethylphenyl)-2-methyl-1-phenylpropan-1-ol
SMILESCOc1c(C)c(C)cc(C)c1[C@@](O)(c1ccccc1)C(C)C
InChIInChI=1S/C20H26O2/c1-13(2)20(21,17-10-8-7-9-11-17)18-15(4)12-14(3)16(5)19(18)22-6/h7-13,21H,1-6H3/t20-/m0/s1
InChIKeyHTBWEVIOJJHSSY-FQEVSTJZSA-N
XLogP4.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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4-Methoxyhonokiol
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9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid
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Cannabivarin
CID 622545

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methoxy-3,4,6-trimethylphenyl)-2-methyl-1-phenylpropan-1-ol?
The IUPAC name of (1S)-1-(2-methoxy-3,4,6-trimethylphenyl)-2-methyl-1-phenylpropan-1-ol (CID 129384114) is (1S)-1-(2-methoxy-3,4,6-trimethylphenyl)-2-methyl-1-phenylpropan-1-ol.
What is the SMILES notation for (1S)-1-(2-methoxy-3,4,6-trimethylphenyl)-2-methyl-1-phenylpropan-1-ol?
The canonical SMILES for (1S)-1-(2-methoxy-3,4,6-trimethylphenyl)-2-methyl-1-phenylpropan-1-ol is COc1c(C)c(C)cc(C)c1[C@@](O)(c1ccccc1)C(C)C.
What is the InChIKey of (1S)-1-(2-methoxy-3,4,6-trimethylphenyl)-2-methyl-1-phenylpropan-1-ol?
The InChIKey is HTBWEVIOJJHSSY-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26O2/c1-13(2)20(21,17-10-8-7-9-11-17)18-15(4)12-14(3)16(5)19(18)22-6/h7-13,21H,1-6H3/t20-/m0/s1.
What are the key properties of (1S)-1-(2-methoxy-3,4,6-trimethylphenyl)-2-methyl-1-phenylpropan-1-ol?
(1S)-1-(2-methoxy-3,4,6-trimethylphenyl)-2-methyl-1-phenylpropan-1-ol has a molecular weight of 298.43 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methoxy-3,4,6-trimethylphenyl)-2-methyl-1-phenylpropan-1-ol is sourced from PubChem (CID 129384114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).