4-[3-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-2-methoxyphenol

C19H24O4 — CID 118523796

IUPAC4-[3-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-2-methoxyphenol
SMILESCCC(CC)(c1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1
InChIInChI=1S/C19H24O4/c1-5-19(6-2,13-7-9-15(20)17(11-13)22-3)14-8-10-16(21)18(12-14)23-4/h7-12,20-21H,5-6H2,1-4H3
InChIKeyYVFVIRCSOXJSQF-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.22
Rot. Bonds6

About 4-[3-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-2-methoxyphenol

4-[3-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-2-methoxyphenol (PubChem CID 118523796) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-[3-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-2-methoxyphenol
PubChem CID118523796
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name4-[3-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-2-methoxyphenol
SMILESCCC(CC)(c1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1
InChIInChI=1S/C19H24O4/c1-5-19(6-2,13-7-9-15(20)17(11-13)22-3)14-8-10-16(21)18(12-14)23-4/h7-12,20-21H,5-6H2,1-4H3
InChIKeyYVFVIRCSOXJSQF-UHFFFAOYSA-N
XLogP4.22
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[2,3,3-tris(4-hydroxy-3-methoxyphenyl)butan-2-yl]phenol
CID 141133714
2-(4-hydroxy-3-methoxyphenyl)-4-methylpentane-2,4-diol
CID 58389383
4-[2-(ethylamino)propan-2-yl]-2-methoxyphenol
CID 163597748
4-(2-fluoropropan-2-yl)-2-methoxyphenol
CID 84659603
3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]pentan-3-ol;4-(3-hydroxypentan-3-yl)-2-methoxyphenol
CID 161115589
2-(ethylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide
CID 60787205
2,2-bis(4-hydroxy-3-methoxyphenyl)-3-oxobutanal;hydron
CID 174695330
4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol
CID 65039215
4-ethoxy-2-methoxyphenol
CID 54107015
ethane;2-methoxy-4-propylphenol
CID 144852330
4-[3-[4-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3-methoxyphenyl]pentan-3-yl]-2-methylphenol
CID 89188457
2-methoxy-4-(2-methyl-1-piperazin-1-ylpropan-2-yl)phenol
CID 116987599

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-2-methoxyphenol?
The IUPAC name of 4-[3-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-2-methoxyphenol (CID 118523796) is 4-[3-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-2-methoxyphenol?
The canonical SMILES for 4-[3-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-2-methoxyphenol is CCC(CC)(c1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1.
What is the InChIKey of 4-[3-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-2-methoxyphenol?
The InChIKey is YVFVIRCSOXJSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4/c1-5-19(6-2,13-7-9-15(20)17(11-13)22-3)14-8-10-16(21)18(12-14)23-4/h7-12,20-21H,5-6H2,1-4H3.
What are the key properties of 4-[3-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-2-methoxyphenol?
4-[3-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-2-methoxyphenol has a molecular weight of 316.40 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-2-methoxyphenol is sourced from PubChem (CID 118523796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).