4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol

C14H22O3 — CID 116926714

IUPAC4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol
SMILESCOc1cc(CCCCO)c(OC)c(C)c1C
InChIInChI=1S/C14H22O3/c1-10-11(2)14(17-4)12(7-5-6-8-15)9-13(10)16-3/h9,15H,5-8H2,1-4H3
InChIKeyPZLBXWJTELXZJB-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.64
Rot. Bonds6

About 4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol

4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol (PubChem CID 116926714) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol.

Molecular Properties

Compound Name4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol
PubChem CID116926714
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol
SMILESCOc1cc(CCCCO)c(OC)c(C)c1C
InChIInChI=1S/C14H22O3/c1-10-11(2)14(17-4)12(7-5-6-8-15)9-13(10)16-3/h9,15H,5-8H2,1-4H3
InChIKeyPZLBXWJTELXZJB-UHFFFAOYSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091
methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465
3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol
CID 117322234
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
CID 15812003
1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol
CID 116928719
N-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 115140029
methyl 2-[2-(4-hydroxybutyl)-4,5-dimethoxyphenyl]acetate
CID 175431518
1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168734
2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid
CID 115218097
4-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 59192502
5-(5-chloro-2-methoxy-4-methylphenyl)pentan-1-ol
CID 98015509
3-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 11790895

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol?
The IUPAC name of 4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol (CID 116926714) is 4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol.
What is the SMILES notation for 4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol?
The canonical SMILES for 4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol is COc1cc(CCCCO)c(OC)c(C)c1C.
What is the InChIKey of 4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol?
The InChIKey is PZLBXWJTELXZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-10-11(2)14(17-4)12(7-5-6-8-15)9-13(10)16-3/h9,15H,5-8H2,1-4H3.
What are the key properties of 4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol?
4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol is sourced from PubChem (CID 116926714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).