(2R,4S,6R)-2-(4-hydroxy-3-methoxyphenyl)-6-(2-phenylmethoxyethyl)oxan-4-ol

C21H26O5 — CID 135024175

IUPAC(2R,4S,6R)-2-(4-hydroxy-3-methoxyphenyl)-6-(2-phenylmethoxyethyl)oxan-4-ol
SMILESCOc1cc([C@H]2C[C@@H](O)C[C@@H](CCOCc3ccccc3)O2)ccc1O
InChIInChI=1S/C21H26O5/c1-24-21-11-16(7-8-19(21)23)20-13-17(22)12-18(26-20)9-10-25-14-15-5-3-2-4-6-15/h2-8,11,17-18,20,22-23H,9-10,12-14H2,1H3/t17-,18+,20+/m0/s1
InChIKeyWOTDSCDWPXBQQV-NLWGTHIKSA-N
MW358.43 g/mol
LogP3.59
Rot. Bonds7

About (2R,4S,6R)-2-(4-hydroxy-3-methoxyphenyl)-6-(2-phenylmethoxyethyl)oxan-4-ol

(2R,4S,6R)-2-(4-hydroxy-3-methoxyphenyl)-6-(2-phenylmethoxyethyl)oxan-4-ol (PubChem CID 135024175) has the molecular formula C21H26O5 and a molecular weight of 358.43 g/mol. Its IUPAC name is (2R,4S,6R)-2-(4-hydroxy-3-methoxyphenyl)-6-(2-phenylmethoxyethyl)oxan-4-ol.

Molecular Properties

Compound Name(2R,4S,6R)-2-(4-hydroxy-3-methoxyphenyl)-6-(2-phenylmethoxyethyl)oxan-4-ol
PubChem CID135024175
Molecular FormulaC21H26O5
Molecular Weight358.43 g/mol
Exact Mass358.18
IUPAC Name(2R,4S,6R)-2-(4-hydroxy-3-methoxyphenyl)-6-(2-phenylmethoxyethyl)oxan-4-ol
SMILESCOc1cc([C@H]2C[C@@H](O)C[C@@H](CCOCc3ccccc3)O2)ccc1O
InChIInChI=1S/C21H26O5/c1-24-21-11-16(7-8-19(21)23)20-13-17(22)12-18(26-20)9-10-25-14-15-5-3-2-4-6-15/h2-8,11,17-18,20,22-23H,9-10,12-14H2,1H3/t17-,18+,20+/m0/s1
InChIKeyWOTDSCDWPXBQQV-NLWGTHIKSA-N
XLogP3.59
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R,6R)-4-(methoxymethoxy)-2-[3-methoxy-4-(methoxymethoxy)phenyl]-6-(2-phenylmethoxyethyl)oxane
CID 135024177
(2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol
CID 138967268
(4aR,6S,8R,10aS)-6-(2-phenylmethoxyethyl)-2,3,4,4a,6,7,8,9,10,10a-decahydropyrano[3,2-b]oxocin-8-ol
CID 135033476
5-[(2S,4R,6R)-4-hydroxy-6-[2-[4-hydroxy-3-(3-methylbutyl)phenyl]ethyl]oxan-2-yl]-3-methoxybenzene-1,2-diol
CID 163099811
(2R,4S,6S)-2-[4-hydroxy-3-methoxy-5-[(1S,3S)-3-(2-methylpropyl)cyclopentyl]oxyphenyl]-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]oxan-4-ol
CID 162874747
(2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol
CID 122367194
(2R,4R,6R)-2-(iodomethyl)-4-(methoxymethoxy)-6-(2-phenylmethoxyethyl)oxane
CID 50915847
methyl (2R,3S,5R)-3-hydroxy-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2-carboxylate
CID 101373892
2-[(2R,3R,6R)-2-[[2-hydroxy-5-[(2S,4S,6S)-4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]oxan-2-yl]-3-methoxyphenoxy]methyl]-6-methylpiperidin-3-yl]acetic acid
CID 162833316
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
CID 14831922
2-methoxy-4-(oxolan-2-yl)phenol
CID 70616633

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6R)-2-(4-hydroxy-3-methoxyphenyl)-6-(2-phenylmethoxyethyl)oxan-4-ol?
The IUPAC name of (2R,4S,6R)-2-(4-hydroxy-3-methoxyphenyl)-6-(2-phenylmethoxyethyl)oxan-4-ol (CID 135024175) is (2R,4S,6R)-2-(4-hydroxy-3-methoxyphenyl)-6-(2-phenylmethoxyethyl)oxan-4-ol.
What is the SMILES notation for (2R,4S,6R)-2-(4-hydroxy-3-methoxyphenyl)-6-(2-phenylmethoxyethyl)oxan-4-ol?
The canonical SMILES for (2R,4S,6R)-2-(4-hydroxy-3-methoxyphenyl)-6-(2-phenylmethoxyethyl)oxan-4-ol is COc1cc([C@H]2C[C@@H](O)C[C@@H](CCOCc3ccccc3)O2)ccc1O.
What is the InChIKey of (2R,4S,6R)-2-(4-hydroxy-3-methoxyphenyl)-6-(2-phenylmethoxyethyl)oxan-4-ol?
The InChIKey is WOTDSCDWPXBQQV-NLWGTHIKSA-N. The full InChI is InChI=1S/C21H26O5/c1-24-21-11-16(7-8-19(21)23)20-13-17(22)12-18(26-20)9-10-25-14-15-5-3-2-4-6-15/h2-8,11,17-18,20,22-23H,9-10,12-14H2,1H3/t17-,18+,20+/m0/s1.
What are the key properties of (2R,4S,6R)-2-(4-hydroxy-3-methoxyphenyl)-6-(2-phenylmethoxyethyl)oxan-4-ol?
(2R,4S,6R)-2-(4-hydroxy-3-methoxyphenyl)-6-(2-phenylmethoxyethyl)oxan-4-ol has a molecular weight of 358.43 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6R)-2-(4-hydroxy-3-methoxyphenyl)-6-(2-phenylmethoxyethyl)oxan-4-ol is sourced from PubChem (CID 135024175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).