2-(4,4-dimethylpentyl)-5-methoxyphenol

C14H22O2 — CID 146337312

IUPAC2-(4,4-dimethylpentyl)-5-methoxyphenol
SMILESCOc1ccc(CCCC(C)(C)C)c(O)c1
InChIInChI=1S/C14H22O2/c1-14(2,3)9-5-6-11-7-8-12(16-4)10-13(11)15/h7-8,10,15H,5-6,9H2,1-4H3
InChIKeyLDLMGXJAGQXVFN-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.77
Rot. Bonds4

About 2-(4,4-dimethylpentyl)-5-methoxyphenol

2-(4,4-dimethylpentyl)-5-methoxyphenol (PubChem CID 146337312) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(4,4-dimethylpentyl)-5-methoxyphenol.

Molecular Properties

Compound Name2-(4,4-dimethylpentyl)-5-methoxyphenol
PubChem CID146337312
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-(4,4-dimethylpentyl)-5-methoxyphenol
SMILESCOc1ccc(CCCC(C)(C)C)c(O)c1
InChIInChI=1S/C14H22O2/c1-14(2,3)9-5-6-11-7-8-12(16-4)10-13(11)15/h7-8,10,15H,5-6,9H2,1-4H3
InChIKeyLDLMGXJAGQXVFN-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-2-propylphenol
CID 12836519
2-[3-(dimethylamino)propyl]-5-methoxyphenol
CID 170865157
2-(aminomethyl)-5-methoxyphenol;ethane
CID 154662698
5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300
5-methoxy-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 154383350
2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
5-methoxy-2-prop-2-enylphenol
CID 6424515
2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-5-methoxyphenol
CID 64549738
5-methoxy-2-[(4-methylphenoxy)methyl]phenol
CID 117221283
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol
CID 114209720

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpentyl)-5-methoxyphenol?
The IUPAC name of 2-(4,4-dimethylpentyl)-5-methoxyphenol (CID 146337312) is 2-(4,4-dimethylpentyl)-5-methoxyphenol.
What is the SMILES notation for 2-(4,4-dimethylpentyl)-5-methoxyphenol?
The canonical SMILES for 2-(4,4-dimethylpentyl)-5-methoxyphenol is COc1ccc(CCCC(C)(C)C)c(O)c1.
What is the InChIKey of 2-(4,4-dimethylpentyl)-5-methoxyphenol?
The InChIKey is LDLMGXJAGQXVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-14(2,3)9-5-6-11-7-8-12(16-4)10-13(11)15/h7-8,10,15H,5-6,9H2,1-4H3.
What are the key properties of 2-(4,4-dimethylpentyl)-5-methoxyphenol?
2-(4,4-dimethylpentyl)-5-methoxyphenol has a molecular weight of 222.33 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpentyl)-5-methoxyphenol is sourced from PubChem (CID 146337312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).