(2S,3S)-2-(4-methoxyphenoxy)-3-methyl-5-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pentan-1-ol

C20H32O5 — CID 135050471

IUPAC(2S,3S)-2-(4-methoxyphenoxy)-3-methyl-5-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pentan-1-ol
SMILESCOc1ccc(O[C@H](CO)[C@@H](C)CC[C@@H]2OC(C)(C)OC2(C)C)cc1
InChIInChI=1S/C20H32O5/c1-14(7-12-18-19(2,3)25-20(4,5)24-18)17(13-21)23-16-10-8-15(22-6)9-11-16/h8-11,14,17-18,21H,7,12-13H2,1-6H3/t14-,17+,18-/m0/s1
InChIKeyPBCXSWFXADZONM-QGTPRVQTSA-N
MW352.47 g/mol
LogP3.78
Rot. Bonds8

About (2S,3S)-2-(4-methoxyphenoxy)-3-methyl-5-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pentan-1-ol

(2S,3S)-2-(4-methoxyphenoxy)-3-methyl-5-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pentan-1-ol (PubChem CID 135050471) has the molecular formula C20H32O5 and a molecular weight of 352.47 g/mol. Its IUPAC name is (2S,3S)-2-(4-methoxyphenoxy)-3-methyl-5-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pentan-1-ol.

Molecular Properties

Compound Name(2S,3S)-2-(4-methoxyphenoxy)-3-methyl-5-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pentan-1-ol
PubChem CID135050471
Molecular FormulaC20H32O5
Molecular Weight352.47 g/mol
Exact Mass352.22
IUPAC Name(2S,3S)-2-(4-methoxyphenoxy)-3-methyl-5-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pentan-1-ol
SMILESCOc1ccc(O[C@H](CO)[C@@H](C)CC[C@@H]2OC(C)(C)OC2(C)C)cc1
InChIInChI=1S/C20H32O5/c1-14(7-12-18-19(2,3)25-20(4,5)24-18)17(13-21)23-16-10-8-15(22-6)9-11-16/h8-11,14,17-18,21H,7,12-13H2,1-6H3/t14-,17+,18-/m0/s1
InChIKeyPBCXSWFXADZONM-QGTPRVQTSA-N
XLogP3.78
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(4-methoxyphenoxy)-3-methyl-5-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pentan-1-ol?
The IUPAC name of (2S,3S)-2-(4-methoxyphenoxy)-3-methyl-5-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pentan-1-ol (CID 135050471) is (2S,3S)-2-(4-methoxyphenoxy)-3-methyl-5-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pentan-1-ol.
What is the SMILES notation for (2S,3S)-2-(4-methoxyphenoxy)-3-methyl-5-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pentan-1-ol?
The canonical SMILES for (2S,3S)-2-(4-methoxyphenoxy)-3-methyl-5-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pentan-1-ol is COc1ccc(O[C@H](CO)[C@@H](C)CC[C@@H]2OC(C)(C)OC2(C)C)cc1.
What is the InChIKey of (2S,3S)-2-(4-methoxyphenoxy)-3-methyl-5-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pentan-1-ol?
The InChIKey is PBCXSWFXADZONM-QGTPRVQTSA-N. The full InChI is InChI=1S/C20H32O5/c1-14(7-12-18-19(2,3)25-20(4,5)24-18)17(13-21)23-16-10-8-15(22-6)9-11-16/h8-11,14,17-18,21H,7,12-13H2,1-6H3/t14-,17+,18-/m0/s1.
What are the key properties of (2S,3S)-2-(4-methoxyphenoxy)-3-methyl-5-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pentan-1-ol?
(2S,3S)-2-(4-methoxyphenoxy)-3-methyl-5-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pentan-1-ol has a molecular weight of 352.47 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(4-methoxyphenoxy)-3-methyl-5-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pentan-1-ol is sourced from PubChem (CID 135050471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).