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

C24H32F2O6 — CID 141459937

IUPAC(2S,3R,4R,5R)-10-(2-fluorophenyl)-7-[(2-fluorophenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol
SMILESCC(Cc1ccccc1F)CC(Cc1ccccc1F)C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C24H32F2O6/c1-14(10-15-6-2-4-8-18(15)25)11-17(12-16-7-3-5-9-19(16)26)21(29)23(31)24(32)22(30)20(28)13-27/h2-9,14,17,20-24,27-32H,10-13H2,1H3/t14?,17?,20-,21?,22+,23+,24-/m0/s1
InChIKeySVWDKAFTYNSCSE-QRSAOTPQSA-N
MW454.51 g/mol
LogP1.19
Rot. Bonds12

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

(2S,3R,4R,5R)-10-(2-fluorophenyl)-7-[(2-fluorophenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol (PubChem CID 141459937) has the molecular formula C24H32F2O6 and a molecular weight of 454.51 g/mol. Its IUPAC name is (2S,3R,4R,5R)-10-(2-fluorophenyl)-7-[(2-fluorophenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-10-(2-fluorophenyl)-7-[(2-fluorophenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol
PubChem CID141459937
Molecular FormulaC24H32F2O6
Molecular Weight454.51 g/mol
Exact Mass454.22
IUPAC Name(2S,3R,4R,5R)-10-(2-fluorophenyl)-7-[(2-fluorophenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol
SMILESCC(Cc1ccccc1F)CC(Cc1ccccc1F)C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C24H32F2O6/c1-14(10-15-6-2-4-8-18(15)25)11-17(12-16-7-3-5-9-19(16)26)21(29)23(31)24(32)22(30)20(28)13-27/h2-9,14,17,20-24,27-32H,10-13H2,1H3/t14?,17?,20-,21?,22+,23+,24-/m0/s1
InChIKeySVWDKAFTYNSCSE-QRSAOTPQSA-N
XLogP1.19
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 51.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R,4R,5R)-10-(2,3-dimethoxyphenyl)-7-[(2,3-dimethoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol
CID 141459582
2-[(2-fluorophenyl)methyl]-3-methylbutan-1-ol
CID 66059618
(2S,3R,4R,5R)-9-methyl-10-(3-propylphenyl)-7-[(3-propylphenyl)methyl]decane-1,2,3,4,5,6-hexol
CID 141460159
(2S,3R,4R,5R)-10-(3-methoxyphenyl)-7-[(3-methoxyphenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol
CID 141459539
1-(2-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 63834393
1-[2-(chloromethyl)-3-methylbutyl]-2-fluorobenzene
CID 66036123
1-amino-3-(2-fluorophenyl)propan-2-ol
CID 64982726
1-(2-fluorophenyl)-3-(methylamino)propan-2-ol
CID 64989565
3-[(2-fluorophenyl)methyl]pentan-2-amine
CID 60999151
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride
CID 3048994
1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene
CID 63434643

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-10-(2-fluorophenyl)-7-[(2-fluorophenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol?
The IUPAC name of (2S,3R,4R,5R)-10-(2-fluorophenyl)-7-[(2-fluorophenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol (CID 141459937) is (2S,3R,4R,5R)-10-(2-fluorophenyl)-7-[(2-fluorophenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2S,3R,4R,5R)-10-(2-fluorophenyl)-7-[(2-fluorophenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol?
The canonical SMILES for (2S,3R,4R,5R)-10-(2-fluorophenyl)-7-[(2-fluorophenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol is CC(Cc1ccccc1F)CC(Cc1ccccc1F)C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.
What is the InChIKey of (2S,3R,4R,5R)-10-(2-fluorophenyl)-7-[(2-fluorophenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol?
The InChIKey is SVWDKAFTYNSCSE-QRSAOTPQSA-N. The full InChI is InChI=1S/C24H32F2O6/c1-14(10-15-6-2-4-8-18(15)25)11-17(12-16-7-3-5-9-19(16)26)21(29)23(31)24(32)22(30)20(28)13-27/h2-9,14,17,20-24,27-32H,10-13H2,1H3/t14?,17?,20-,21?,22+,23+,24-/m0/s1.
What are the key properties of (2S,3R,4R,5R)-10-(2-fluorophenyl)-7-[(2-fluorophenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol?
(2S,3R,4R,5R)-10-(2-fluorophenyl)-7-[(2-fluorophenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol has a molecular weight of 454.51 g/mol, XLogP of 1.19, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-10-(2-fluorophenyl)-7-[(2-fluorophenyl)methyl]-9-methyldecane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 141459937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).