4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol

C13H20O3 — CID 139528685

IUPAC4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol
SMILESCOc1cc(CC(O)CC(C)C)ccc1O
InChIInChI=1S/C13H20O3/c1-9(2)6-11(14)7-10-4-5-12(15)13(8-10)16-3/h4-5,8-9,11,14-15H,6-7H2,1-3H3
InChIKeyKKKCAFHIFHKYAH-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.35
Rot. Bonds5

About 4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol

4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol (PubChem CID 139528685) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol
PubChem CID139528685
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol
SMILESCOc1cc(CC(O)CC(C)C)ccc1O
InChIInChI=1S/C13H20O3/c1-9(2)6-11(14)7-10-4-5-12(15)13(8-10)16-3/h4-5,8-9,11,14-15H,6-7H2,1-3H3
InChIKeyKKKCAFHIFHKYAH-UHFFFAOYSA-N
XLogP2.35
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol
CID 71398900
4-(2-iodopropyl)-2-methoxyphenol
CID 89111818
4-[(2R,3S)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 11725068
4-[2-(hydroxyamino)propyl]-2-methoxyphenol
CID 45091599
(3R,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
CID 10883331
4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 18716327
3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid
CID 18443662
1-(3,4-dimethoxyphenyl)-4,5,5-trimethylhexan-2-ol
CID 63834551
4-[(2R)-2-(ethylamino)propyl]-2-methoxyphenol
CID 100950888
3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecan-5-one
CID 163102634
5-[4-(4-hydroxy-3-methoxyphenyl)-3-methylbutan-2-yl]-3-methoxybenzene-1,2-diol
CID 76535667

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol?
The IUPAC name of 4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol (CID 139528685) is 4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol.
What is the SMILES notation for 4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol?
The canonical SMILES for 4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol is COc1cc(CC(O)CC(C)C)ccc1O.
What is the InChIKey of 4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol?
The InChIKey is KKKCAFHIFHKYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-9(2)6-11(14)7-10-4-5-12(15)13(8-10)16-3/h4-5,8-9,11,14-15H,6-7H2,1-3H3.
What are the key properties of 4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol?
4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol has a molecular weight of 224.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol is sourced from PubChem (CID 139528685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).