4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol

C19H24O2 — CID 11954178

IUPAC4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol
SMILESCC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(OC)cc1
InChIInChI=1S/C19H24O2/c1-4-18(14-6-10-16(20)11-7-14)19(5-2)15-8-12-17(21-3)13-9-15/h6-13,18-20H,4-5H2,1-3H3/t18-,19+/m1/s1
InChIKeyITRDPYNINWIWLM-MOPGFXCFSA-N
MW284.40 g/mol
LogP5.09
Rot. Bonds6

About 4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol

4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol (PubChem CID 11954178) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol.

Molecular Properties

Compound Name4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol
PubChem CID11954178
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol
SMILESCC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(OC)cc1
InChIInChI=1S/C19H24O2/c1-4-18(14-6-10-16(20)11-7-14)19(5-2)15-8-12-17(21-3)13-9-15/h6-13,18-20H,4-5H2,1-3H3/t18-,19+/m1/s1
InChIKeyITRDPYNINWIWLM-MOPGFXCFSA-N
XLogP5.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene
CID 125465303
4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol
CID 21123610
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-[4-(4-hydroxyphenyl)hexan-3-yl]phenyl] dihydrogen phosphate
CID 22234939
4-[5-(4-methoxyphenyl)hexan-3-yl]phenol
CID 20681979
4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
CID 43720375
methane;4-methoxyphenol
CID 159494332
4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
CID 160569635
4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride
CID 69080735
1-[(1S,2R,3S)-1,2-diethyl-3-(4-methoxyphenyl)butyl]-4-methoxybenzene
CID 124824625

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol?
The IUPAC name of 4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol (CID 11954178) is 4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol.
What is the SMILES notation for 4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol?
The canonical SMILES for 4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol is CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(OC)cc1.
What is the InChIKey of 4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol?
The InChIKey is ITRDPYNINWIWLM-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H24O2/c1-4-18(14-6-10-16(20)11-7-14)19(5-2)15-8-12-17(21-3)13-9-15/h6-13,18-20H,4-5H2,1-3H3/t18-,19+/m1/s1.
What are the key properties of 4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol?
4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol has a molecular weight of 284.40 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol is sourced from PubChem (CID 11954178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).