4-[(5R)-5-hydroxy-3-pyrrolidin-1-yldodecyl]-2-methoxyphenol

C23H39NO3 — CID 71103181

IUPAC4-[(5R)-5-hydroxy-3-pyrrolidin-1-yldodecyl]-2-methoxyphenol
SMILESCCCCCCC[C@@H](O)CC(CCc1ccc(O)c(OC)c1)N1CCCC1
InChIInChI=1S/C23H39NO3/c1-3-4-5-6-7-10-21(25)18-20(24-15-8-9-16-24)13-11-19-12-14-22(26)23(17-19)27-2/h12,14,17,20-21,25-26H,3-11,13,15-16,18H2,1-2H3/t20?,21-/m1/s1
InChIKeyZWDKAKRRTPFRDU-BPGUCPLFSA-N
MW377.57 g/mol
LogP4.91
Rot. Bonds13

About 4-[(5R)-5-hydroxy-3-pyrrolidin-1-yldodecyl]-2-methoxyphenol

4-[(5R)-5-hydroxy-3-pyrrolidin-1-yldodecyl]-2-methoxyphenol (PubChem CID 71103181) has the molecular formula C23H39NO3 and a molecular weight of 377.57 g/mol. Its IUPAC name is 4-[(5R)-5-hydroxy-3-pyrrolidin-1-yldodecyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(5R)-5-hydroxy-3-pyrrolidin-1-yldodecyl]-2-methoxyphenol
PubChem CID71103181
Molecular FormulaC23H39NO3
Molecular Weight377.57 g/mol
Exact Mass377.29
IUPAC Name4-[(5R)-5-hydroxy-3-pyrrolidin-1-yldodecyl]-2-methoxyphenol
SMILESCCCCCCC[C@@H](O)CC(CCc1ccc(O)c(OC)c1)N1CCCC1
InChIInChI=1S/C23H39NO3/c1-3-4-5-6-7-10-21(25)18-20(24-15-8-9-16-24)13-11-19-12-14-22(26)23(17-19)27-2/h12,14,17,20-21,25-26H,3-11,13,15-16,18H2,1-2H3/t20?,21-/m1/s1
InChIKeyZWDKAKRRTPFRDU-BPGUCPLFSA-N
XLogP4.91
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol
CID 156738617
[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-5-yl]oxidanium
CID 143193328
4-(3-hydroxyheptyl)-2-methoxyphenol
CID 142945422
(3R,5S)-1-(3-hydroxy-4-methoxyphenyl)dodecane-3,5-diol
CID 163030522
(3R,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
CID 10883331
4-[3-(3-hydroxydodecoxy)propyl]-2-methoxyphenol
CID 137432163
(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one;(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one;(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
CID 167592723
4-(1-hydroxyheptyl)-2-methoxyphenol
CID 14035097
[(3R,5S)-1-(3-cyclopentyloxy-4-hydroxyphenyl)-5-hydroxydecan-3-yl] acetate
CID 162936966
(3S,5S)-1-(3-cyclohexyloxy-4-hydroxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)heptane-3,5-diol
CID 163096425
(E,6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one
CID 163096599
4-(3-ethylpentyl)-2-methoxyphenol
CID 142654270

Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-5-hydroxy-3-pyrrolidin-1-yldodecyl]-2-methoxyphenol?
The IUPAC name of 4-[(5R)-5-hydroxy-3-pyrrolidin-1-yldodecyl]-2-methoxyphenol (CID 71103181) is 4-[(5R)-5-hydroxy-3-pyrrolidin-1-yldodecyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(5R)-5-hydroxy-3-pyrrolidin-1-yldodecyl]-2-methoxyphenol?
The canonical SMILES for 4-[(5R)-5-hydroxy-3-pyrrolidin-1-yldodecyl]-2-methoxyphenol is CCCCCCC[C@@H](O)CC(CCc1ccc(O)c(OC)c1)N1CCCC1.
What is the InChIKey of 4-[(5R)-5-hydroxy-3-pyrrolidin-1-yldodecyl]-2-methoxyphenol?
The InChIKey is ZWDKAKRRTPFRDU-BPGUCPLFSA-N. The full InChI is InChI=1S/C23H39NO3/c1-3-4-5-6-7-10-21(25)18-20(24-15-8-9-16-24)13-11-19-12-14-22(26)23(17-19)27-2/h12,14,17,20-21,25-26H,3-11,13,15-16,18H2,1-2H3/t20?,21-/m1/s1.
What are the key properties of 4-[(5R)-5-hydroxy-3-pyrrolidin-1-yldodecyl]-2-methoxyphenol?
4-[(5R)-5-hydroxy-3-pyrrolidin-1-yldodecyl]-2-methoxyphenol has a molecular weight of 377.57 g/mol, XLogP of 4.91, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-5-hydroxy-3-pyrrolidin-1-yldodecyl]-2-methoxyphenol is sourced from PubChem (CID 71103181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).