4-(1-methoxybutan-2-yl)-3-methylphenol

C12H18O2 — CID 156826769

IUPAC4-(1-methoxybutan-2-yl)-3-methylphenol
SMILESCCC(COC)c1ccc(O)cc1C
InChIInChI=1S/C12H18O2/c1-4-10(8-14-3)12-6-5-11(13)7-9(12)2/h5-7,10,13H,4,8H2,1-3H3
InChIKeyFDNYIENNPSJSJR-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.84
Rot. Bonds4

About 4-(1-methoxybutan-2-yl)-3-methylphenol

4-(1-methoxybutan-2-yl)-3-methylphenol (PubChem CID 156826769) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4-(1-methoxybutan-2-yl)-3-methylphenol.

Molecular Properties

Compound Name4-(1-methoxybutan-2-yl)-3-methylphenol
PubChem CID156826769
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4-(1-methoxybutan-2-yl)-3-methylphenol
SMILESCCC(COC)c1ccc(O)cc1C
InChIInChI=1S/C12H18O2/c1-4-10(8-14-3)12-6-5-11(13)7-9(12)2/h5-7,10,13H,4,8H2,1-3H3
InChIKeyFDNYIENNPSJSJR-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yl-3-methylphenol
CID 21413615
4-hept-1-yn-4-yl-3-methylphenol
CID 83923362
4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol
CID 55254730
4-[(1S)-1-amino-2-methoxyethyl]-3-ethylphenol
CID 55268338
methyl 2-(4-hydroxy-2-methylphenyl)propanoate
CID 131289275
4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol
CID 66513632
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol
CID 130650619
4-(1-iodopropan-2-yl)-3-methylphenol
CID 122668073
4-[(1R)-1-aminopentyl]-3-methylphenol
CID 55253511
2-[amino(hydroxy)methyl]-4-(1-methoxybutan-2-yl)phenol
CID 156826757
4-(1-amino-2-methoxyethyl)-3-fluorophenol
CID 55273323
4-[chloro(methylsulfanyl)methyl]-3-methylphenol
CID 90471845

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxybutan-2-yl)-3-methylphenol?
The IUPAC name of 4-(1-methoxybutan-2-yl)-3-methylphenol (CID 156826769) is 4-(1-methoxybutan-2-yl)-3-methylphenol.
What is the SMILES notation for 4-(1-methoxybutan-2-yl)-3-methylphenol?
The canonical SMILES for 4-(1-methoxybutan-2-yl)-3-methylphenol is CCC(COC)c1ccc(O)cc1C.
What is the InChIKey of 4-(1-methoxybutan-2-yl)-3-methylphenol?
The InChIKey is FDNYIENNPSJSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-10(8-14-3)12-6-5-11(13)7-9(12)2/h5-7,10,13H,4,8H2,1-3H3.
What are the key properties of 4-(1-methoxybutan-2-yl)-3-methylphenol?
4-(1-methoxybutan-2-yl)-3-methylphenol has a molecular weight of 194.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxybutan-2-yl)-3-methylphenol is sourced from PubChem (CID 156826769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).