4-[5-(4-methoxyphenyl)hexan-3-yl]phenol

C19H24O2 — CID 20681979

IUPAC4-[5-(4-methoxyphenyl)hexan-3-yl]phenol
SMILESCCC(CC(C)c1ccc(OC)cc1)c1ccc(O)cc1
InChIInChI=1S/C19H24O2/c1-4-15(17-5-9-18(20)10-6-17)13-14(2)16-7-11-19(21-3)12-8-16/h5-12,14-15,20H,4,13H2,1-3H3
InChIKeyHVZLVEKFMYULCK-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.09
Rot. Bonds6

About 4-[5-(4-methoxyphenyl)hexan-3-yl]phenol

4-[5-(4-methoxyphenyl)hexan-3-yl]phenol (PubChem CID 20681979) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)hexan-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)hexan-3-yl]phenol
PubChem CID20681979
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name4-[5-(4-methoxyphenyl)hexan-3-yl]phenol
SMILESCCC(CC(C)c1ccc(OC)cc1)c1ccc(O)cc1
InChIInChI=1S/C19H24O2/c1-4-15(17-5-9-18(20)10-6-17)13-14(2)16-7-11-19(21-3)12-8-16/h5-12,14-15,20H,4,13H2,1-3H3
InChIKeyHVZLVEKFMYULCK-UHFFFAOYSA-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-methoxy-4-(4-phenylhexan-2-yl)benzene
CID 134214893
methane;4-[6-(4-methoxyphenyl)octan-2-yl]phenol
CID 160819739
4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol
CID 23556512
4-[4-(4-chlorophenyl)hexan-2-yl]phenol
CID 130398550
4-[4-[4-(1-methoxyethoxy)phenyl]-6-[4-[1-(trimethylsilylmethoxy)ethoxy]phenyl]octan-2-yl]phenol
CID 59058324
[4-[2-(4-hydroxyphenyl)-6-phenyloctan-4-yl]phenyl] 2,2-dimethylpropanoate
CID 54232468
4-[4-[4-(1-hydroxyethoxy)phenyl]-6-[4-(1-propoxyethoxy)phenyl]octan-2-yl]phenol
CID 54358686
4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol
CID 11954178
4-[5-(4-hydroxyphenyl)-7-[4-[(2-methylpropan-2-yl)oxy]phenyl]octan-3-yl]benzenesulfonate
CID 177097763
tert-butyl 4-[6-(4-hydroxyphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]octan-4-yl]benzoate
CID 54252059
tert-butyl 4-[6-(4-hydroxyphenyl)-2-[4-(methoxymethoxy)phenyl]octan-4-yl]benzoate
CID 54252058
1-butan-2-yl-4-[5-(4-pentan-3-ylphenyl)hexan-3-yl]benzene
CID 54004386

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)hexan-3-yl]phenol?
The IUPAC name of 4-[5-(4-methoxyphenyl)hexan-3-yl]phenol (CID 20681979) is 4-[5-(4-methoxyphenyl)hexan-3-yl]phenol.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)hexan-3-yl]phenol?
The canonical SMILES for 4-[5-(4-methoxyphenyl)hexan-3-yl]phenol is CCC(CC(C)c1ccc(OC)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)hexan-3-yl]phenol?
The InChIKey is HVZLVEKFMYULCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-4-15(17-5-9-18(20)10-6-17)13-14(2)16-7-11-19(21-3)12-8-16/h5-12,14-15,20H,4,13H2,1-3H3.
What are the key properties of 4-[5-(4-methoxyphenyl)hexan-3-yl]phenol?
4-[5-(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-[5-(4-methoxyphenyl)hexan-3-yl]phenol is sourced from PubChem (CID 20681979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).