2-methoxy-1-(3-propylphenyl)butan-1-ol

C14H22O2 — CID 116710935

IUPAC2-methoxy-1-(3-propylphenyl)butan-1-ol
SMILESCCCc1cccc(C(O)C(CC)OC)c1
InChIInChI=1S/C14H22O2/c1-4-7-11-8-6-9-12(10-11)14(15)13(5-2)16-3/h6,8-10,13-15H,4-5,7H2,1-3H3
InChIKeyUQRFAIZDPZRBMY-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.10
Rot. Bonds6

About 2-methoxy-1-(3-propylphenyl)butan-1-ol

2-methoxy-1-(3-propylphenyl)butan-1-ol (PubChem CID 116710935) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methoxy-1-(3-propylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-methoxy-1-(3-propylphenyl)butan-1-ol
PubChem CID116710935
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-methoxy-1-(3-propylphenyl)butan-1-ol
SMILESCCCc1cccc(C(O)C(CC)OC)c1
InChIInChI=1S/C14H22O2/c1-4-7-11-8-6-9-12(10-11)14(15)13(5-2)16-3/h6,8-10,13-15H,4-5,7H2,1-3H3
InChIKeyUQRFAIZDPZRBMY-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

1-(3-ethylphenyl)-2-methoxybutan-1-ol
CID 116710803
2-methoxy-1-(4-propylphenyl)butan-1-ol
CID 116710776
(4-methoxyphenyl)-(3-propylphenyl)methanol
CID 116542361
2-ethoxy-1-(3-ethylphenyl)butan-1-ol
CID 116711098
(4-ethylphenyl)-(3-propylphenyl)methanol
CID 116542443
methyl 2-(3-propylphenyl)butanoate
CID 116545494
(3-methoxythiophen-2-yl)-(3-propylphenyl)methanol
CID 115838098
(5-chloro-2-methoxyphenyl)-(3-propylphenyl)methanol
CID 115838131
1-[3-(methoxymethyl)phenyl]-2-methylbutan-1-ol
CID 79446126
2-(3-propylphenyl)butanoic acid
CID 116545486
2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116717137
1-phenyl-2-(4-propylphenoxy)butan-1-ol
CID 63467207

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(3-propylphenyl)butan-1-ol?
The IUPAC name of 2-methoxy-1-(3-propylphenyl)butan-1-ol (CID 116710935) is 2-methoxy-1-(3-propylphenyl)butan-1-ol.
What is the SMILES notation for 2-methoxy-1-(3-propylphenyl)butan-1-ol?
The canonical SMILES for 2-methoxy-1-(3-propylphenyl)butan-1-ol is CCCc1cccc(C(O)C(CC)OC)c1.
What is the InChIKey of 2-methoxy-1-(3-propylphenyl)butan-1-ol?
The InChIKey is UQRFAIZDPZRBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-7-11-8-6-9-12(10-11)14(15)13(5-2)16-3/h6,8-10,13-15H,4-5,7H2,1-3H3.
What are the key properties of 2-methoxy-1-(3-propylphenyl)butan-1-ol?
2-methoxy-1-(3-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-(3-propylphenyl)butan-1-ol is sourced from PubChem (CID 116710935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).