2-[(4-methoxyphenyl)methoxy]butan-1-ol

C12H18O3 — CID 146450943

IUPAC2-[(4-methoxyphenyl)methoxy]butan-1-ol
SMILESCCC(CO)OCc1ccc(OC)cc1
InChIInChI=1S/C12H18O3/c1-3-11(8-13)15-9-10-4-6-12(14-2)7-5-10/h4-7,11,13H,3,8-9H2,1-2H3
InChIKeyUQIDPHFAAOPLBG-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.98
Rot. Bonds6

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

2-[(4-methoxyphenyl)methoxy]butan-1-ol (PubChem CID 146450943) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methoxy]butan-1-ol.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methoxy]butan-1-ol
PubChem CID146450943
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-[(4-methoxyphenyl)methoxy]butan-1-ol
SMILESCCC(CO)OCc1ccc(OC)cc1
InChIInChI=1S/C12H18O3/c1-3-11(8-13)15-9-10-4-6-12(14-2)7-5-10/h4-7,11,13H,3,8-9H2,1-2H3
InChIKeyUQIDPHFAAOPLBG-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
(2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol
CID 11673005
3-[(4-methoxyphenyl)methoxy]pentan-1-amine
CID 43428425
2-[(4-methoxyphenyl)methoxy]propane-1,3-diol;bis(4-methylbenzenethiol)
CID 170714437
2-[[4-(trifluoromethyl)phenyl]methoxy]butan-1-ol
CID 142936430
(2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
CID 24938597
(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol
CID 102381132
(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol
CID 121460426
(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol
CID 154717250
1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
CID 66849270
ethyl 2-[(4-methoxyphenyl)methoxy]butanoate
CID 64663670
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methoxy]butan-1-ol?
The IUPAC name of 2-[(4-methoxyphenyl)methoxy]butan-1-ol (CID 146450943) is 2-[(4-methoxyphenyl)methoxy]butan-1-ol.
What is the SMILES notation for 2-[(4-methoxyphenyl)methoxy]butan-1-ol?
The canonical SMILES for 2-[(4-methoxyphenyl)methoxy]butan-1-ol is CCC(CO)OCc1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methoxy]butan-1-ol?
The InChIKey is UQIDPHFAAOPLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-11(8-13)15-9-10-4-6-12(14-2)7-5-10/h4-7,11,13H,3,8-9H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methoxy]butan-1-ol?
2-[(4-methoxyphenyl)methoxy]butan-1-ol has a molecular weight of 210.27 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methoxy]butan-1-ol is sourced from PubChem (CID 146450943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).