(2S)-3-[(4-methoxyphenyl)methoxy]-2-methylpropan-1-ol

C12H18O3 — CID 11106626

IUPAC(2S)-3-[(4-methoxyphenyl)methoxy]-2-methylpropan-1-ol
SMILESCOc1ccc(COC[C@@H](C)CO)cc1
InChIInChI=1S/C12H18O3/c1-10(7-13)8-15-9-11-3-5-12(14-2)6-4-11/h3-6,10,13H,7-9H2,1-2H3/t10-/m0/s1
InChIKeyVXWJQPCCVVLLAN-JTQLQIEISA-N
MW210.27 g/mol
LogP1.84
Rot. Bonds6

About (2S)-3-[(4-methoxyphenyl)methoxy]-2-methylpropan-1-ol

(2S)-3-[(4-methoxyphenyl)methoxy]-2-methylpropan-1-ol (PubChem CID 11106626) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (2S)-3-[(4-methoxyphenyl)methoxy]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2S)-3-[(4-methoxyphenyl)methoxy]-2-methylpropan-1-ol
PubChem CID11106626
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(2S)-3-[(4-methoxyphenyl)methoxy]-2-methylpropan-1-ol
SMILESCOc1ccc(COC[C@@H](C)CO)cc1
InChIInChI=1S/C12H18O3/c1-10(7-13)8-15-9-11-3-5-12(14-2)6-4-11/h3-6,10,13H,7-9H2,1-2H3/t10-/m0/s1
InChIKeyVXWJQPCCVVLLAN-JTQLQIEISA-N
XLogP1.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(4-methoxyphenyl)methoxy]-2-methylpropan-1-ol?
The IUPAC name of (2S)-3-[(4-methoxyphenyl)methoxy]-2-methylpropan-1-ol (CID 11106626) is (2S)-3-[(4-methoxyphenyl)methoxy]-2-methylpropan-1-ol.
What is the SMILES notation for (2S)-3-[(4-methoxyphenyl)methoxy]-2-methylpropan-1-ol?
The canonical SMILES for (2S)-3-[(4-methoxyphenyl)methoxy]-2-methylpropan-1-ol is COc1ccc(COC[C@@H](C)CO)cc1.
What is the InChIKey of (2S)-3-[(4-methoxyphenyl)methoxy]-2-methylpropan-1-ol?
The InChIKey is VXWJQPCCVVLLAN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18O3/c1-10(7-13)8-15-9-11-3-5-12(14-2)6-4-11/h3-6,10,13H,7-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-3-[(4-methoxyphenyl)methoxy]-2-methylpropan-1-ol?
(2S)-3-[(4-methoxyphenyl)methoxy]-2-methylpropan-1-ol has a molecular weight of 210.27 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(4-methoxyphenyl)methoxy]-2-methylpropan-1-ol is sourced from PubChem (CID 11106626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).