(1S)-1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]ethanol

C18H22O2 — CID 78931588

IUPAC(1S)-1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]ethanol
SMILESCc1cc(C)c(COc2ccccc2[C@H](C)O)c(C)c1
InChIInChI=1S/C18H22O2/c1-12-9-13(2)17(14(3)10-12)11-20-18-8-6-5-7-16(18)15(4)19/h5-10,15,19H,11H2,1-4H3/t15-/m0/s1
InChIKeyNENFYKNZEJJDJJ-HNNXBMFYSA-N
MW270.37 g/mol
LogP4.24
Rot. Bonds4

About (1S)-1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]ethanol

(1S)-1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]ethanol (PubChem CID 78931588) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1S)-1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]ethanol
PubChem CID78931588
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(1S)-1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]ethanol
SMILESCc1cc(C)c(COc2ccccc2[C@H](C)O)c(C)c1
InChIInChI=1S/C18H22O2/c1-12-9-13(2)17(14(3)10-12)11-20-18-8-6-5-7-16(18)15(4)19/h5-10,15,19H,11H2,1-4H3/t15-/m0/s1
InChIKeyNENFYKNZEJJDJJ-HNNXBMFYSA-N
XLogP4.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine
CID 63501481
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 63364801
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 78931579
1-[2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 43504033
(1S)-1-[2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 78931636
2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid
CID 80722666
1-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 43503944
(1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
CID 82918200
1-[2-[(3-bromophenyl)methoxy]phenyl]ethanol
CID 43504021
(1S)-1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 63364724
1-(2-propoxyphenyl)ethanol
CID 43503976
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]ethanol (CID 78931588) is (1S)-1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]ethanol is Cc1cc(C)c(COc2ccccc2[C@H](C)O)c(C)c1.
What is the InChIKey of (1S)-1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]ethanol?
The InChIKey is NENFYKNZEJJDJJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22O2/c1-12-9-13(2)17(14(3)10-12)11-20-18-8-6-5-7-16(18)15(4)19/h5-10,15,19H,11H2,1-4H3/t15-/m0/s1.
What are the key properties of (1S)-1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]ethanol?
(1S)-1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]ethanol has a molecular weight of 270.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 78931588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).