(2S,3R,4R,5R)-10-(3-methoxyphenyl)-7-[(3-methoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol

C26H38O8 — CID 141459539

IUPAC(2S,3R,4R,5R)-10-(3-methoxyphenyl)-7-[(3-methoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol
SMILESCOc1cccc(CC(C)CC(Cc2cccc(OC)c2)C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)c1
InChIInChI=1S/C26H38O8/c1-16(10-17-6-4-8-20(13-17)33-2)11-19(12-18-7-5-9-21(14-18)34-3)23(29)25(31)26(32)24(30)22(28)15-27/h4-9,13-14,16,19,22-32H,10-12,15H2,1-3H3/t16?,19?,22-,23?,24+,25+,26-/m0/s1
InChIKeyXDHGYTZWZRTFMG-XGZBJJJISA-N
MW478.58 g/mol
LogP0.93
Rot. Bonds14

About (2S,3R,4R,5R)-10-(3-methoxyphenyl)-7-[(3-methoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol

(2S,3R,4R,5R)-10-(3-methoxyphenyl)-7-[(3-methoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol (PubChem CID 141459539) has the molecular formula C26H38O8 and a molecular weight of 478.58 g/mol. Its IUPAC name is (2S,3R,4R,5R)-10-(3-methoxyphenyl)-7-[(3-methoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-10-(3-methoxyphenyl)-7-[(3-methoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol
PubChem CID141459539
Molecular FormulaC26H38O8
Molecular Weight478.58 g/mol
Exact Mass478.26
IUPAC Name(2S,3R,4R,5R)-10-(3-methoxyphenyl)-7-[(3-methoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol
SMILESCOc1cccc(CC(C)CC(Cc2cccc(OC)c2)C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)c1
InChIInChI=1S/C26H38O8/c1-16(10-17-6-4-8-20(13-17)33-2)11-19(12-18-7-5-9-21(14-18)34-3)23(29)25(31)26(32)24(30)22(28)15-27/h4-9,13-14,16,19,22-32H,10-12,15H2,1-3H3/t16?,19?,22-,23?,24+,25+,26-/m0/s1
InChIKeyXDHGYTZWZRTFMG-XGZBJJJISA-N
XLogP0.93
TPSA139.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.58
LogP ≤ 50.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze (2S,3R,4R,5R)-10-(3-methoxyphenyl)-7-[(3-methoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R,4R,5R)-9-methyl-10-(3-propylphenyl)-7-[(3-propylphenyl)methyl]decane-1,2,3,4,5,6-hexol
CID 141460159
5-(3-methoxyphenyl)-4-methylpentan-2-ol
CID 64721891
(2S,3S,4S)-3-ethenyl-4-[(3-methoxyphenyl)methyl]pentane-1,2,5-triol
CID 24769985
1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 116757004
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
4-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 79002230
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
(3-methoxyphenyl)(113C)methanol
CID 11593446
(3S)-4-(3-methoxyphenyl)-N,3-dimethylbutanamide
CID 140551869
1-(3-methoxyphenyl)propan-2-yl-methylphosphinous acid
CID 156844425
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-10-(3-methoxyphenyl)-7-[(3-methoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol?
The IUPAC name of (2S,3R,4R,5R)-10-(3-methoxyphenyl)-7-[(3-methoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol (CID 141459539) is (2S,3R,4R,5R)-10-(3-methoxyphenyl)-7-[(3-methoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2S,3R,4R,5R)-10-(3-methoxyphenyl)-7-[(3-methoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol?
The canonical SMILES for (2S,3R,4R,5R)-10-(3-methoxyphenyl)-7-[(3-methoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol is COc1cccc(CC(C)CC(Cc2cccc(OC)c2)C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)c1.
What is the InChIKey of (2S,3R,4R,5R)-10-(3-methoxyphenyl)-7-[(3-methoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol?
The InChIKey is XDHGYTZWZRTFMG-XGZBJJJISA-N. The full InChI is InChI=1S/C26H38O8/c1-16(10-17-6-4-8-20(13-17)33-2)11-19(12-18-7-5-9-21(14-18)34-3)23(29)25(31)26(32)24(30)22(28)15-27/h4-9,13-14,16,19,22-32H,10-12,15H2,1-3H3/t16?,19?,22-,23?,24+,25+,26-/m0/s1.
What are the key properties of (2S,3R,4R,5R)-10-(3-methoxyphenyl)-7-[(3-methoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol?
(2S,3R,4R,5R)-10-(3-methoxyphenyl)-7-[(3-methoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol has a molecular weight of 478.58 g/mol, XLogP of 0.93, 14 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-10-(3-methoxyphenyl)-7-[(3-methoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 141459539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).