1-[4-(4-methoxybutoxy)phenyl]propan-2-ol

C14H22O3 — CID 104648035

IUPAC1-[4-(4-methoxybutoxy)phenyl]propan-2-ol
SMILESCOCCCCOc1ccc(CC(C)O)cc1
InChIInChI=1S/C14H22O3/c1-12(15)11-13-5-7-14(8-6-13)17-10-4-3-9-16-2/h5-8,12,15H,3-4,9-11H2,1-2H3
InChIKeyIBAXCCILYAQRFM-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.42
Rot. Bonds8

About 1-[4-(4-methoxybutoxy)phenyl]propan-2-ol

1-[4-(4-methoxybutoxy)phenyl]propan-2-ol (PubChem CID 104648035) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[4-(4-methoxybutoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(4-methoxybutoxy)phenyl]propan-2-ol
PubChem CID104648035
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-[4-(4-methoxybutoxy)phenyl]propan-2-ol
SMILESCOCCCCOc1ccc(CC(C)O)cc1
InChIInChI=1S/C14H22O3/c1-12(15)11-13-5-7-14(8-6-13)17-10-4-3-9-16-2/h5-8,12,15H,3-4,9-11H2,1-2H3
InChIKeyIBAXCCILYAQRFM-UHFFFAOYSA-N
XLogP2.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.42
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

4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol
CID 115495833
1-[4-(3-fluoropropoxy)phenyl]propan-2-ol
CID 115495812
5-[4-(2-hydroxypropyl)phenoxy]pentanenitrile
CID 113323096
methyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate
CID 113323144
1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol
CID 115495880
5-[4-(2-hydroxypropyl)phenoxy]-2,2-dimethylpentanenitrile
CID 115495729
1-(bromomethyl)-4-(4-methoxybutoxy)benzene
CID 102137908
1-[4-(2-isothiocyanatoethoxy)phenyl]propan-2-ol
CID 56629229
1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol
CID 117322250
ethane;1-methoxy-4-(4-methoxybutoxy)benzene
CID 143283261
2-[4-(3-methoxypropoxy)phenyl]ethanethioamide
CID 60926331
1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol
CID 115495898

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxybutoxy)phenyl]propan-2-ol?
The IUPAC name of 1-[4-(4-methoxybutoxy)phenyl]propan-2-ol (CID 104648035) is 1-[4-(4-methoxybutoxy)phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-(4-methoxybutoxy)phenyl]propan-2-ol?
The canonical SMILES for 1-[4-(4-methoxybutoxy)phenyl]propan-2-ol is COCCCCOc1ccc(CC(C)O)cc1.
What is the InChIKey of 1-[4-(4-methoxybutoxy)phenyl]propan-2-ol?
The InChIKey is IBAXCCILYAQRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-12(15)11-13-5-7-14(8-6-13)17-10-4-3-9-16-2/h5-8,12,15H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[4-(4-methoxybutoxy)phenyl]propan-2-ol?
1-[4-(4-methoxybutoxy)phenyl]propan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxybutoxy)phenyl]propan-2-ol is sourced from PubChem (CID 104648035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).