4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol

C19H24O4 — CID 163710554

IUPAC4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol
SMILESCCCC(C)(c1ccc(O)c(CO)c1)c1ccc(O)c(CO)c1
InChIInChI=1S/C19H24O4/c1-3-8-19(2,15-4-6-17(22)13(9-15)11-20)16-5-7-18(23)14(10-16)12-21/h4-7,9-10,20-23H,3,8,11-12H2,1-2H3
InChIKeyKIVVQGVEMMDYAK-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.19
Rot. Bonds6

About 4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol

4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol (PubChem CID 163710554) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol
PubChem CID163710554
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol
SMILESCCCC(C)(c1ccc(O)c(CO)c1)c1ccc(O)c(CO)c1
InChIInChI=1S/C19H24O4/c1-3-8-19(2,15-4-6-17(22)13(9-15)11-20)16-5-7-18(23)14(10-16)12-21/h4-7,9-10,20-23H,3,8,11-12H2,1-2H3
InChIKeyKIVVQGVEMMDYAK-UHFFFAOYSA-N
XLogP3.19
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-4-(8-hydroxy-8-methyl-2-phenylnonan-2-yl)phenol
CID 57199170
4-[4-(4-hydroxy-3-propylphenyl)heptan-4-yl]-2-propylphenol
CID 71712434
butyl-[(2S)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]propyl]azanium
CID 7815765
4-[2-(4-hydroxy-3-prop-2-enylphenyl)nonan-2-yl]-2-prop-2-enylphenol
CID 139760589
4-tert-butyl-2-[(hydroxyamino)methyl]phenol
CID 117285539
2-ethyl-4-(2-methylbutan-2-yl)phenol
CID 13132257
2-(hydroxymethyl)-4-methylsulfanylphenol
CID 11789642
4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol
CID 15322598
2,2-bis(4-hydroxy-3-propylphenyl)propanoic acid
CID 139823282
4-[2-(4-hydroxynaphthalen-1-yl)pentan-2-yl]naphthalen-1-ol
CID 54384901
ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol
CID 142882643
4-[2-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenol;4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol
CID 159320188

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol?
The IUPAC name of 4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol (CID 163710554) is 4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol.
What is the SMILES notation for 4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol?
The canonical SMILES for 4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol is CCCC(C)(c1ccc(O)c(CO)c1)c1ccc(O)c(CO)c1.
What is the InChIKey of 4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol?
The InChIKey is KIVVQGVEMMDYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4/c1-3-8-19(2,15-4-6-17(22)13(9-15)11-20)16-5-7-18(23)14(10-16)12-21/h4-7,9-10,20-23H,3,8,11-12H2,1-2H3.
What are the key properties of 4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol?
4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol has a molecular weight of 316.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol is sourced from PubChem (CID 163710554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).