(3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol

C18H30O3 — CID 154712075

IUPAC(3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol
SMILESCCCCCC[C@@H](O)C[C@H](O)CCc1ccc(OC)cc1
InChIInChI=1S/C18H30O3/c1-3-4-5-6-7-16(19)14-17(20)11-8-15-9-12-18(21-2)13-10-15/h9-10,12-13,16-17,19-20H,3-8,11,14H2,1-2H3/t16-,17-/m1/s1
InChIKeyNJPCPXNSHNUAOM-IAGOWNOFSA-N
MW294.44 g/mol
LogP3.71
Rot. Bonds11

About (3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol

(3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol (PubChem CID 154712075) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is (3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol.

Molecular Properties

Compound Name(3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol
PubChem CID154712075
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name(3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol
SMILESCCCCCC[C@@H](O)C[C@H](O)CCc1ccc(OC)cc1
InChIInChI=1S/C18H30O3/c1-3-4-5-6-7-16(19)14-17(20)11-8-15-9-12-18(21-2)13-10-15/h9-10,12-13,16-17,19-20H,3-8,11,14H2,1-2H3/t16-,17-/m1/s1
InChIKeyNJPCPXNSHNUAOM-IAGOWNOFSA-N
XLogP3.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)nonan-3-ol
CID 65444716
1-(4-methoxyphenyl)nonan-2-ol
CID 62608606
(3R,5S)-1-(3-hydroxy-4-methoxyphenyl)dodecane-3,5-diol
CID 163030522
1-(4-methoxyphenoxy)tetradecan-2-ol
CID 59993706
ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol
CID 156738617
1-(4-methylphenyl)dodecan-3-ol
CID 105084894
1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
(2S,4R)-4-hydroxy-2-(4-methoxyphenyl)decanenitrile
CID 15653381
1-(4-methoxyphenyl)-4-methyloctan-3-ol
CID 114247161
7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol
CID 115828386
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
2-[5-(4-methoxyphenyl)pentyl]octanoic acid
CID 139937458

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol?
The IUPAC name of (3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol (CID 154712075) is (3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol.
What is the SMILES notation for (3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol?
The canonical SMILES for (3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol is CCCCCC[C@@H](O)C[C@H](O)CCc1ccc(OC)cc1.
What is the InChIKey of (3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol?
The InChIKey is NJPCPXNSHNUAOM-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H30O3/c1-3-4-5-6-7-16(19)14-17(20)11-8-15-9-12-18(21-2)13-10-15/h9-10,12-13,16-17,19-20H,3-8,11,14H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol?
(3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol has a molecular weight of 294.44 g/mol, XLogP of 3.71, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol is sourced from PubChem (CID 154712075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).