3-methoxy-2-pentyl-5-propylphenol

C15H24O2 — CID 134929797

IUPAC3-methoxy-2-pentyl-5-propylphenol
SMILESCCCCCc1c(O)cc(CCC)cc1OC
InChIInChI=1S/C15H24O2/c1-4-6-7-9-13-14(16)10-12(8-5-2)11-15(13)17-3/h10-11,16H,4-9H2,1-3H3
InChIKeyCVJKBNVFZZLUIR-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.09
Rot. Bonds7

About 3-methoxy-2-pentyl-5-propylphenol

3-methoxy-2-pentyl-5-propylphenol (PubChem CID 134929797) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3-methoxy-2-pentyl-5-propylphenol.

Molecular Properties

Compound Name3-methoxy-2-pentyl-5-propylphenol
PubChem CID134929797
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3-methoxy-2-pentyl-5-propylphenol
SMILESCCCCCc1c(O)cc(CCC)cc1OC
InChIInChI=1S/C15H24O2/c1-4-6-7-9-13-14(16)10-12(8-5-2)11-15(13)17-3/h10-11,16H,4-9H2,1-3H3
InChIKeyCVJKBNVFZZLUIR-UHFFFAOYSA-N
XLogP4.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-3-methoxy-5-pentylphenol
CID 123850544
2,6-dimethoxy-4-pentylphenol
CID 22625510
5-heptadecyl-2,3-dimethoxyphenol
CID 11794867
2-decyl-5-nonylbenzene-1,3-diol
CID 174774661
(2-butyl-3-hydroxy-5-pentylphenyl) hydrogen sulfate
CID 132558505
4-butyl-5-methoxy-2-methylbenzene-1,3-diol
CID 143238612
ethane;2-methoxy-4-propylphenol
CID 144852330
2-bromo-1,3-dimethoxy-5-pentylbenzene
CID 14964361
2-butyl-1,3-dimethoxy-5-(methoxymethyl)benzene
CID 24770685
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492
5-hexylbenzene-1,2,3-triol
CID 54026211

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-pentyl-5-propylphenol?
The IUPAC name of 3-methoxy-2-pentyl-5-propylphenol (CID 134929797) is 3-methoxy-2-pentyl-5-propylphenol.
What is the SMILES notation for 3-methoxy-2-pentyl-5-propylphenol?
The canonical SMILES for 3-methoxy-2-pentyl-5-propylphenol is CCCCCc1c(O)cc(CCC)cc1OC.
What is the InChIKey of 3-methoxy-2-pentyl-5-propylphenol?
The InChIKey is CVJKBNVFZZLUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-6-7-9-13-14(16)10-12(8-5-2)11-15(13)17-3/h10-11,16H,4-9H2,1-3H3.
What are the key properties of 3-methoxy-2-pentyl-5-propylphenol?
3-methoxy-2-pentyl-5-propylphenol has a molecular weight of 236.35 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-pentyl-5-propylphenol is sourced from PubChem (CID 134929797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).