6-cyclohexyl-4-hydroxy-2-[(4-phenylmethoxyphenyl)methyl]hexanoic acid

C26H34O4 — CID 22917830

IUPAC6-cyclohexyl-4-hydroxy-2-[(4-phenylmethoxyphenyl)methyl]hexanoic acid
SMILESO=C(O)C(Cc1ccc(OCc2ccccc2)cc1)CC(O)CCC1CCCCC1
InChIInChI=1S/C26H34O4/c27-24(14-11-20-7-3-1-4-8-20)18-23(26(28)29)17-21-12-15-25(16-13-21)30-19-22-9-5-2-6-10-22/h2,5-6,9-10,12-13,15-16,20,23-24,27H,1,3-4,7-8,11,14,17-19H2,(H,28,29)
InChIKeyIENPZYRZRAMOAP-UHFFFAOYSA-N
MW410.55 g/mol
LogP5.62
Rot. Bonds11

About 6-cyclohexyl-4-hydroxy-2-[(4-phenylmethoxyphenyl)methyl]hexanoic acid

6-cyclohexyl-4-hydroxy-2-[(4-phenylmethoxyphenyl)methyl]hexanoic acid (PubChem CID 22917830) has the molecular formula C26H34O4 and a molecular weight of 410.55 g/mol. Its IUPAC name is 6-cyclohexyl-4-hydroxy-2-[(4-phenylmethoxyphenyl)methyl]hexanoic acid.

Molecular Properties

Compound Name6-cyclohexyl-4-hydroxy-2-[(4-phenylmethoxyphenyl)methyl]hexanoic acid
PubChem CID22917830
Molecular FormulaC26H34O4
Molecular Weight410.55 g/mol
Exact Mass410.25
IUPAC Name6-cyclohexyl-4-hydroxy-2-[(4-phenylmethoxyphenyl)methyl]hexanoic acid
SMILESO=C(O)C(Cc1ccc(OCc2ccccc2)cc1)CC(O)CCC1CCCCC1
InChIInChI=1S/C26H34O4/c27-24(14-11-20-7-3-1-4-8-20)18-23(26(28)29)17-21-12-15-25(16-13-21)30-19-22-9-5-2-6-10-22/h2,5-6,9-10,12-13,15-16,20,23-24,27H,1,3-4,7-8,11,14,17-19H2,(H,28,29)
InChIKeyIENPZYRZRAMOAP-UHFFFAOYSA-N
XLogP5.62
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.55
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S,5S)-5-amino-4-hydroxy-6-(4-phenylmethoxyphenyl)-2-[(4-phenylmethoxyphenyl)methyl]hexanoic acid
CID 22874222
[(2S,3R)-4-(cyclopentylmethylamino)-3-hydroxy-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamic acid
CID 69007970
3,3-dihydroxy-2-[[4-(phenoxymethyl)phenyl]methyl]propanoic acid
CID 123215162
3-(4-phenylmethoxyphenyl)propane-1,2-diol
CID 19868595
(2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 122390059
4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol
CID 115787298
strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 173177558
(2S)-3-cyclohexyl-2-[[3-[(4-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoic acid
CID 66912825
(2S)-2-(4-cyclohexylbutan-2-ylamino)-3-phenylpropanoic acid
CID 122037642
1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene
CID 125465491
3-[(4-phenylmethoxyphenyl)methyl]pentane-2,4-dione
CID 10017465
3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 11381046

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-4-hydroxy-2-[(4-phenylmethoxyphenyl)methyl]hexanoic acid?
The IUPAC name of 6-cyclohexyl-4-hydroxy-2-[(4-phenylmethoxyphenyl)methyl]hexanoic acid (CID 22917830) is 6-cyclohexyl-4-hydroxy-2-[(4-phenylmethoxyphenyl)methyl]hexanoic acid.
What is the SMILES notation for 6-cyclohexyl-4-hydroxy-2-[(4-phenylmethoxyphenyl)methyl]hexanoic acid?
The canonical SMILES for 6-cyclohexyl-4-hydroxy-2-[(4-phenylmethoxyphenyl)methyl]hexanoic acid is O=C(O)C(Cc1ccc(OCc2ccccc2)cc1)CC(O)CCC1CCCCC1.
What is the InChIKey of 6-cyclohexyl-4-hydroxy-2-[(4-phenylmethoxyphenyl)methyl]hexanoic acid?
The InChIKey is IENPZYRZRAMOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O4/c27-24(14-11-20-7-3-1-4-8-20)18-23(26(28)29)17-21-12-15-25(16-13-21)30-19-22-9-5-2-6-10-22/h2,5-6,9-10,12-13,15-16,20,23-24,27H,1,3-4,7-8,11,14,17-19H2,(H,28,29).
What are the key properties of 6-cyclohexyl-4-hydroxy-2-[(4-phenylmethoxyphenyl)methyl]hexanoic acid?
6-cyclohexyl-4-hydroxy-2-[(4-phenylmethoxyphenyl)methyl]hexanoic acid has a molecular weight of 410.55 g/mol, XLogP of 5.62, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-4-hydroxy-2-[(4-phenylmethoxyphenyl)methyl]hexanoic acid is sourced from PubChem (CID 22917830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).