2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol

C20H26O5 — CID 163016012

IUPAC2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol
SMILESCCCc1cc(OC)c(O)c([C@H](CO)Cc2ccc(O)c(OC)c2)c1
InChIInChI=1S/C20H26O5/c1-4-5-13-9-16(20(23)19(11-13)25-3)15(12-21)8-14-6-7-17(22)18(10-14)24-2/h6-7,9-11,15,21-23H,4-5,8,12H2,1-3H3/t15-/m0/s1
InChIKeyMDJKQDFUJAUBLV-HNNXBMFYSA-N
MW346.42 g/mol
LogP3.39
Rot. Bonds8

About 2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol

2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol (PubChem CID 163016012) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is 2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol.

Molecular Properties

Compound Name2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol
PubChem CID163016012
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol
SMILESCCCc1cc(OC)c(O)c([C@H](CO)Cc2ccc(O)c(OC)c2)c1
InChIInChI=1S/C20H26O5/c1-4-5-13-9-16(20(23)19(11-13)25-3)15(12-21)8-14-6-7-17(22)18(10-14)24-2/h6-7,9-11,15,21-23H,4-5,8,12H2,1-3H3/t15-/m0/s1
InChIKeyMDJKQDFUJAUBLV-HNNXBMFYSA-N
XLogP3.39
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol with MolForge

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Related Compounds

ethane;2-methoxy-4-propylphenol
CID 144852330
tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492
4-[(2R)-2-(ethylamino)propyl]-2-methoxyphenol
CID 100950888
5-[4-(4-hydroxy-3-methoxyphenyl)-3-methylbutan-2-yl]-3-methoxybenzene-1,2-diol
CID 76535667
4-(2-iodopropyl)-2-methoxyphenol
CID 89111818
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol
CID 15098594
4-[(2R,3S)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 11725068
1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol
CID 71398900
4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol
CID 83974353
4-(3-ethylpentyl)-2-methoxyphenol
CID 142654270
4-[2-(hydroxyamino)propyl]-2-methoxyphenol
CID 45091599

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol?
The IUPAC name of 2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol (CID 163016012) is 2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol.
What is the SMILES notation for 2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol?
The canonical SMILES for 2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol is CCCc1cc(OC)c(O)c([C@H](CO)Cc2ccc(O)c(OC)c2)c1.
What is the InChIKey of 2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol?
The InChIKey is MDJKQDFUJAUBLV-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26O5/c1-4-5-13-9-16(20(23)19(11-13)25-3)15(12-21)8-14-6-7-17(22)18(10-14)24-2/h6-7,9-11,15,21-23H,4-5,8,12H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol?
2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol has a molecular weight of 346.42 g/mol, XLogP of 3.39, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-propylphenol is sourced from PubChem (CID 163016012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).