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

C28H42O10 — CID 141459582

IUPAC(2S,3R,4R,5R)-10-(2,3-dimethoxyphenyl)-7-[(2,3-dimethoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol
SMILESCOc1cccc(CC(C)CC(Cc2cccc(OC)c2OC)C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)c1OC
InChIInChI=1S/C28H42O10/c1-16(12-17-8-6-10-21(35-2)27(17)37-4)13-19(14-18-9-7-11-22(36-3)28(18)38-5)23(31)25(33)26(34)24(32)20(30)15-29/h6-11,16,19-20,23-26,29-34H,12-15H2,1-5H3/t16?,19?,20-,23?,24+,25+,26-/m0/s1
InChIKeyMRSKWRPQSVLROF-ANUWDTLPSA-N
MW538.63 g/mol
LogP0.95
Rot. Bonds16

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

(2S,3R,4R,5R)-10-(2,3-dimethoxyphenyl)-7-[(2,3-dimethoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol (PubChem CID 141459582) has the molecular formula C28H42O10 and a molecular weight of 538.63 g/mol. Its IUPAC name is (2S,3R,4R,5R)-10-(2,3-dimethoxyphenyl)-7-[(2,3-dimethoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-10-(2,3-dimethoxyphenyl)-7-[(2,3-dimethoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol
PubChem CID141459582
Molecular FormulaC28H42O10
Molecular Weight538.63 g/mol
Exact Mass538.28
IUPAC Name(2S,3R,4R,5R)-10-(2,3-dimethoxyphenyl)-7-[(2,3-dimethoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol
SMILESCOc1cccc(CC(C)CC(Cc2cccc(OC)c2OC)C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)c1OC
InChIInChI=1S/C28H42O10/c1-16(12-17-8-6-10-21(35-2)27(17)37-4)13-19(14-18-9-7-11-22(36-3)28(18)38-5)23(31)25(33)26(34)24(32)20(30)15-29/h6-11,16,19-20,23-26,29-34H,12-15H2,1-5H3/t16?,19?,20-,23?,24+,25+,26-/m0/s1
InChIKeyMRSKWRPQSVLROF-ANUWDTLPSA-N
XLogP0.95
TPSA158.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.63
LogP ≤ 50.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze (2S,3R,4R,5R)-10-(2,3-dimethoxyphenyl)-7-[(2,3-dimethoxyphenyl)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

2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol
CID 82394614
(2S,3R,4R,5R)-9-methyl-10-(2,3,5-trifluorophenyl)-7-[(2,3,5-trifluorophenyl)methyl]decane-1,2,3,4,5,6-hexol
CID 141459816
(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496
(2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol
CID 96915436
(2S,3R,4R,5R)-10-(4-butylphenyl)-7-[(4-butylphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol
CID 141459775
(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
CID 40616340
2,3-dimethoxy-N-[(2S)-2-methyl-3-naphthalen-1-ylpropyl]benzamide
CID 100531776
1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]pentan-2-ol
CID 46007027
1-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-3-propan-2-yloxypropan-2-ol
CID 24713571
1-(4-bromo-2-methylpentyl)-2-methoxybenzene
CID 64721690
2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 170893212
(2S)-2-[(2,3-dimethoxyphenyl)methylamino]butan-1-ol
CID 7061563

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-10-(2,3-dimethoxyphenyl)-7-[(2,3-dimethoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol?
The IUPAC name of (2S,3R,4R,5R)-10-(2,3-dimethoxyphenyl)-7-[(2,3-dimethoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol (CID 141459582) is (2S,3R,4R,5R)-10-(2,3-dimethoxyphenyl)-7-[(2,3-dimethoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2S,3R,4R,5R)-10-(2,3-dimethoxyphenyl)-7-[(2,3-dimethoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol?
The canonical SMILES for (2S,3R,4R,5R)-10-(2,3-dimethoxyphenyl)-7-[(2,3-dimethoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol is COc1cccc(CC(C)CC(Cc2cccc(OC)c2OC)C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)c1OC.
What is the InChIKey of (2S,3R,4R,5R)-10-(2,3-dimethoxyphenyl)-7-[(2,3-dimethoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol?
The InChIKey is MRSKWRPQSVLROF-ANUWDTLPSA-N. The full InChI is InChI=1S/C28H42O10/c1-16(12-17-8-6-10-21(35-2)27(17)37-4)13-19(14-18-9-7-11-22(36-3)28(18)38-5)23(31)25(33)26(34)24(32)20(30)15-29/h6-11,16,19-20,23-26,29-34H,12-15H2,1-5H3/t16?,19?,20-,23?,24+,25+,26-/m0/s1.
What are the key properties of (2S,3R,4R,5R)-10-(2,3-dimethoxyphenyl)-7-[(2,3-dimethoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol?
(2S,3R,4R,5R)-10-(2,3-dimethoxyphenyl)-7-[(2,3-dimethoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol has a molecular weight of 538.63 g/mol, XLogP of 0.95, 16 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-10-(2,3-dimethoxyphenyl)-7-[(2,3-dimethoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 141459582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).