4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol

C19H24O3 — CID 21123610

IUPAC4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol
SMILESCCC(c1ccc(O)cc1)C(CC)c1ccc(O)c(OC)c1
InChIInChI=1S/C19H24O3/c1-4-16(13-6-9-15(20)10-7-13)17(5-2)14-8-11-18(21)19(12-14)22-3/h6-12,16-17,20-21H,4-5H2,1-3H3
InChIKeyFJDSAABTDLGHQF-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.79
Rot. Bonds6

About 4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol

4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol (PubChem CID 21123610) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol
PubChem CID21123610
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol
SMILESCCC(c1ccc(O)cc1)C(CC)c1ccc(O)c(OC)c1
InChIInChI=1S/C19H24O3/c1-4-16(13-6-9-15(20)10-7-13)17(5-2)14-8-11-18(21)19(12-14)22-3/h6-12,16-17,20-21H,4-5H2,1-3H3
InChIKeyFJDSAABTDLGHQF-UHFFFAOYSA-N
XLogP4.79
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol
CID 11954178
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
(1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 56838657
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
(1S,2R)-1,2-bis(4-hydroxy-3-methoxyphenyl)butane-1,4-diol
CID 10664426
4-(4-methylhexan-3-yl)phenol
CID 123259382
4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol
CID 12962984
4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
1,2-bis(4-hydroxy-3-methoxyphenyl)butan-1-one
CID 162941342
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-hexan-2-yl-2-methoxyphenol
CID 10285881

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol?
The IUPAC name of 4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol (CID 21123610) is 4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol?
The canonical SMILES for 4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol is CCC(c1ccc(O)cc1)C(CC)c1ccc(O)c(OC)c1.
What is the InChIKey of 4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol?
The InChIKey is FJDSAABTDLGHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-4-16(13-6-9-15(20)10-7-13)17(5-2)14-8-11-18(21)19(12-14)22-3/h6-12,16-17,20-21H,4-5H2,1-3H3.
What are the key properties of 4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol?
4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol has a molecular weight of 300.40 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol is sourced from PubChem (CID 21123610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).