2-methoxy-1-(4-propylphenyl)butan-1-ol

C14H22O2 — CID 116710776

IUPAC2-methoxy-1-(4-propylphenyl)butan-1-ol
SMILESCCCc1ccc(C(O)C(CC)OC)cc1
InChIInChI=1S/C14H22O2/c1-4-6-11-7-9-12(10-8-11)14(15)13(5-2)16-3/h7-10,13-15H,4-6H2,1-3H3
InChIKeyBTYOCBZGBYXVSG-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.10
Rot. Bonds6

About 2-methoxy-1-(4-propylphenyl)butan-1-ol

2-methoxy-1-(4-propylphenyl)butan-1-ol (PubChem CID 116710776) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methoxy-1-(4-propylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-methoxy-1-(4-propylphenyl)butan-1-ol
PubChem CID116710776
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-methoxy-1-(4-propylphenyl)butan-1-ol
SMILESCCCc1ccc(C(O)C(CC)OC)cc1
InChIInChI=1S/C14H22O2/c1-4-6-11-7-9-12(10-8-11)14(15)13(5-2)16-3/h7-10,13-15H,4-6H2,1-3H3
InChIKeyBTYOCBZGBYXVSG-UHFFFAOYSA-N
XLogP3.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(3-propylphenyl)butan-1-ol
CID 116710935
1-phenyl-2-(4-propylphenoxy)butan-1-ol
CID 63467207
2-methoxy-1-(4-phenylphenyl)butan-1-ol
CID 116710860
3-methoxy-2-methyl-1-(4-propylphenyl)propan-1-ol
CID 116502564
1-(3-ethylphenyl)-2-methoxybutan-1-ol
CID 116710803
2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 116710731
methyl 3-amino-4-hydroxy-4-(4-propylphenyl)butanoate
CID 82349375
methyl 2-(4-propylphenyl)propanoate
CID 62801402
3-(methylamino)-1-(4-propylphenyl)propane-1,2-diol
CID 171857789
1-(4-propylphenyl)-4-sulfanylbutane-1,2-diol
CID 171873926
1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol
CID 107128607
2-methoxy-2-(4-propylphenyl)acetamide
CID 91163100

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-propylphenyl)butan-1-ol?
The IUPAC name of 2-methoxy-1-(4-propylphenyl)butan-1-ol (CID 116710776) is 2-methoxy-1-(4-propylphenyl)butan-1-ol.
What is the SMILES notation for 2-methoxy-1-(4-propylphenyl)butan-1-ol?
The canonical SMILES for 2-methoxy-1-(4-propylphenyl)butan-1-ol is CCCc1ccc(C(O)C(CC)OC)cc1.
What is the InChIKey of 2-methoxy-1-(4-propylphenyl)butan-1-ol?
The InChIKey is BTYOCBZGBYXVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-6-11-7-9-12(10-8-11)14(15)13(5-2)16-3/h7-10,13-15H,4-6H2,1-3H3.
What are the key properties of 2-methoxy-1-(4-propylphenyl)butan-1-ol?
2-methoxy-1-(4-propylphenyl)butan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-propylphenyl)butan-1-ol is sourced from PubChem (CID 116710776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).