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

C11H16O3 — CID 14373639

IUPAC(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
SMILESCOc1ccc(CO[C@@H](C)CO)cc1
InChIInChI=1S/C11H16O3/c1-9(7-12)14-8-10-3-5-11(13-2)6-4-10/h3-6,9,12H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyYSZPXCZNHLUZKX-VIFPVBQESA-N
MW196.25 g/mol
LogP1.59
Rot. Bonds5

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

(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol (PubChem CID 14373639) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
PubChem CID14373639
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
SMILESCOc1ccc(CO[C@@H](C)CO)cc1
InChIInChI=1S/C11H16O3/c1-9(7-12)14-8-10-3-5-11(13-2)6-4-10/h3-6,9,12H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyYSZPXCZNHLUZKX-VIFPVBQESA-N
XLogP1.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
CID 24938597
2-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 146450943
(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol
CID 121460426
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
[(2R,3R)-3-[(2R)-2-[(4-methoxyphenyl)methoxy]propyl]oxiran-2-yl]methanol
CID 24756271
(E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol
CID 56926948
1-(heptan-2-yloxymethyl)-4-methoxybenzene
CID 142701861
N'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide
CID 114996616
2-[(4-ethenylphenyl)methoxy]propan-1-ol
CID 21035602
(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol
CID 102381132
(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol
CID 154717250

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol?
The IUPAC name of (2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol (CID 14373639) is (2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol.
What is the SMILES notation for (2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol?
The canonical SMILES for (2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol is COc1ccc(CO[C@@H](C)CO)cc1.
What is the InChIKey of (2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol?
The InChIKey is YSZPXCZNHLUZKX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16O3/c1-9(7-12)14-8-10-3-5-11(13-2)6-4-10/h3-6,9,12H,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol?
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol is sourced from PubChem (CID 14373639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).