2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol

C13H20O3 — CID 116930738

IUPAC2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol
SMILESCCC(CO)Cc1cc(OC)ccc1OC
InChIInChI=1S/C13H20O3/c1-4-10(9-14)7-11-8-12(15-2)5-6-13(11)16-3/h5-6,8,10,14H,4,7,9H2,1-3H3
InChIKeyWLUAERRZWQCKIT-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.26
Rot. Bonds6

About 2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol

2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol (PubChem CID 116930738) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol
PubChem CID116930738
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol
SMILESCCC(CO)Cc1cc(OC)ccc1OC
InChIInChI=1S/C13H20O3/c1-4-10(9-14)7-11-8-12(15-2)5-6-13(11)16-3/h5-6,8,10,14H,4,7,9H2,1-3H3
InChIKeyWLUAERRZWQCKIT-UHFFFAOYSA-N
XLogP2.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol
CID 116930752
(2R)-2-[(2-ethenyl-4-methoxyphenyl)methyl]butan-1-ol
CID 66751010
2-[(2,5-dimethoxyphenyl)methyl]-3-hydroxypropanenitrile
CID 82350267
1,4-dimethoxy-2-(2-octadecylicosyl)benzene
CID 19875610
2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-ol
CID 116930825
3-(2,5-dimethoxyphenyl)-2-methylpropane-1-thiol
CID 83938199
2-(2,2-diethoxyethyl)-1,4-dimethoxybenzene
CID 146004697
(E)-4-(2,5-dimethoxyphenyl)but-2-en-1-ol
CID 135008625
1-(2,5-dimethoxyphenyl)pentan-2-amine
CID 82255255
ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate
CID 4284804
2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid
CID 84752870
1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine
CID 62755079

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol (CID 116930738) is 2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol is CCC(CO)Cc1cc(OC)ccc1OC.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol?
The InChIKey is WLUAERRZWQCKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-10(9-14)7-11-8-12(15-2)5-6-13(11)16-3/h5-6,8,10,14H,4,7,9H2,1-3H3.
What are the key properties of 2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol?
2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol is sourced from PubChem (CID 116930738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).