3-methoxy-2-propylphenol

C10H14O2 — CID 10607156

IUPAC3-methoxy-2-propylphenol
SMILESCCCc1c(O)cccc1OC
InChIInChI=1S/C10H14O2/c1-3-5-8-9(11)6-4-7-10(8)12-2/h4,6-7,11H,3,5H2,1-2H3
InChIKeyBLWZYYNYVINOHM-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.35
Rot. Bonds3

About 3-methoxy-2-propylphenol

3-methoxy-2-propylphenol (PubChem CID 10607156) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-methoxy-2-propylphenol.

Molecular Properties

Compound Name3-methoxy-2-propylphenol
PubChem CID10607156
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name3-methoxy-2-propylphenol
SMILESCCCc1c(O)cccc1OC
InChIInChI=1S/C10H14O2/c1-3-5-8-9(11)6-4-7-10(8)12-2/h4,6-7,11H,3,5H2,1-2H3
InChIKeyBLWZYYNYVINOHM-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-2-(3-methylbutyl)phenol
CID 141105088
3-methoxy-2-(2-phenylethyl)phenol
CID 44887037
3-methoxy-2-propylaniline
CID 70555018
2-butyl-1,3-dimethoxybenzene
CID 524840
2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol
CID 159775903
N-[(2,6-dimethoxyphenyl)methyl]ethanamine
CID 43163718
ethane;2-methoxy-6-propylphenol
CID 142869062
3-[4-(2,3-dimethoxyphenyl)hexoxy]-2-propylphenol
CID 57308798
4-(3-hydroxy-2-propylphenoxy)butanoic acid
CID 67632631
(2-hydroxy-6-methoxyphenyl)methyl acetate
CID 162054633
methyl 2-fluoro-6-(3-hydroxy-2-propylphenoxy)benzoate
CID 10733286
1-[(1E)-2,3-dimethylbuta-1,3-dienyl]-3-methoxy-2-propylbenzene
CID 143922994

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-propylphenol?
The IUPAC name of 3-methoxy-2-propylphenol (CID 10607156) is 3-methoxy-2-propylphenol.
What is the SMILES notation for 3-methoxy-2-propylphenol?
The canonical SMILES for 3-methoxy-2-propylphenol is CCCc1c(O)cccc1OC.
What is the InChIKey of 3-methoxy-2-propylphenol?
The InChIKey is BLWZYYNYVINOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-5-8-9(11)6-4-7-10(8)12-2/h4,6-7,11H,3,5H2,1-2H3.
What are the key properties of 3-methoxy-2-propylphenol?
3-methoxy-2-propylphenol has a molecular weight of 166.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-propylphenol is sourced from PubChem (CID 10607156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).