4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol

C16H18O3 — CID 66690172

IUPAC4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol
SMILESOc1ccc(CCC(O)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C16H18O3/c17-14-6-1-12(2-7-14)3-10-16(19)11-13-4-8-15(18)9-5-13/h1-2,4-9,16-19H,3,10-11H2
InChIKeyMUMMEAXQLISPIX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.63
Rot. Bonds5

About 4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol

4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol (PubChem CID 66690172) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol.

Molecular Properties

Compound Name4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol
PubChem CID66690172
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol
SMILESOc1ccc(CCC(O)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C16H18O3/c17-14-6-1-12(2-7-14)3-10-16(19)11-13-4-8-15(18)9-5-13/h1-2,4-9,16-19H,3,10-11H2
InChIKeyMUMMEAXQLISPIX-UHFFFAOYSA-N
XLogP2.63
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol
CID 11034432
1,4-bis(4-methylphenyl)butan-2-ol
CID 63016226
[4-[2-hydroxy-4-[4-(trimethylazaniumyl)phenyl]butyl]phenyl]-trimethylazanium
CID 24833518
4-(3-amino-3-hydroxypropyl)phenol
CID 57225186
1-(4-hydroxyphenyl)heptane-3,4-diol
CID 83930457
1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 115802735
1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 63015995
4-(3-hydroxy-3-phenylpropyl)phenol
CID 54456955
4-(4-hydroxyphenyl)butan-2-yl-trimethylazanium iodide
CID 3026692
(5R)-1-(4-hydroxyphenyl)-5-methyloctane-3,5-diol
CID 71094748
4-(3-methylpentyl)phenol
CID 57225129
2-[2-hydroxy-4-(4-hydroxyphenyl)butyl]oxane-3,4,5-triol
CID 75181127

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol?
The IUPAC name of 4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol (CID 66690172) is 4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol.
What is the SMILES notation for 4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol?
The canonical SMILES for 4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol is Oc1ccc(CCC(O)Cc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol?
The InChIKey is MUMMEAXQLISPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c17-14-6-1-12(2-7-14)3-10-16(19)11-13-4-8-15(18)9-5-13/h1-2,4-9,16-19H,3,10-11H2.
What are the key properties of 4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol?
4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol has a molecular weight of 258.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol is sourced from PubChem (CID 66690172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).