(2R,4S,6R)-2-[3-[(4-methoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol

C20H24O3 — CID 142057774

IUPAC(2R,4S,6R)-2-[3-[(4-methoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol
SMILESCOc1ccc(Cc2cccc([C@H]3C[C@@H](O)C[C@@H](C)O3)c2)cc1
InChIInChI=1S/C20H24O3/c1-14-10-18(21)13-20(23-14)17-5-3-4-16(12-17)11-15-6-8-19(22-2)9-7-15/h3-9,12,14,18,20-21H,10-11,13H2,1-2H3/t14-,18+,20-/m1/s1
InChIKeyQMCLXGRVHHKTEH-HEFCMCLBSA-N
MW312.41 g/mol
LogP3.89
Rot. Bonds4

About (2R,4S,6R)-2-[3-[(4-methoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol

(2R,4S,6R)-2-[3-[(4-methoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol (PubChem CID 142057774) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2R,4S,6R)-2-[3-[(4-methoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol.

Molecular Properties

Compound Name(2R,4S,6R)-2-[3-[(4-methoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol
PubChem CID142057774
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name(2R,4S,6R)-2-[3-[(4-methoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol
SMILESCOc1ccc(Cc2cccc([C@H]3C[C@@H](O)C[C@@H](C)O3)c2)cc1
InChIInChI=1S/C20H24O3/c1-14-10-18(21)13-20(23-14)17-5-3-4-16(12-17)11-15-6-8-19(22-2)9-7-15/h3-9,12,14,18,20-21H,10-11,13H2,1-2H3/t14-,18+,20-/m1/s1
InChIKeyQMCLXGRVHHKTEH-HEFCMCLBSA-N
XLogP3.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,4S,6R)-2-[3-[(4-methoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol with MolForge

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Related Compounds

2-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methylphenyl]-6-methyloxan-4-ol
CID 144713732
2-[4-[(4-methoxyphenyl)methyl]-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-methyloxan-4-ol
CID 155031679
acetylene;(2R,4S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol
CID 145480632
(2R,4S,6R)-2-methyl-6-[3-(4-methylphenyl)phenyl]oxan-4-ol
CID 142057807
(2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol
CID 122367194
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
3-[(4-methoxyphenyl)methyl]benzonitrile
CID 126697146
(2S,3R,4S,5S,6R)-2-(3-benzylphenyl)-6-methyloxane-3,4,5-triol
CID 58422835
(4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane
CID 25233008
acetylene;5-[(2R,4S,6R)-4,6-dimethyloxan-2-yl]-N-ethyl-2-hydroxy-3-[(4-methoxyphenyl)methyl]benzamide;methanol
CID 142057791
2-[3-[(4-ethylphenyl)methyl]phenyl]-6-(hydroxymethyl)thian-4-ol
CID 77441729
8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63768377

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6R)-2-[3-[(4-methoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol?
The IUPAC name of (2R,4S,6R)-2-[3-[(4-methoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol (CID 142057774) is (2R,4S,6R)-2-[3-[(4-methoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol.
What is the SMILES notation for (2R,4S,6R)-2-[3-[(4-methoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol?
The canonical SMILES for (2R,4S,6R)-2-[3-[(4-methoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol is COc1ccc(Cc2cccc([C@H]3C[C@@H](O)C[C@@H](C)O3)c2)cc1.
What is the InChIKey of (2R,4S,6R)-2-[3-[(4-methoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol?
The InChIKey is QMCLXGRVHHKTEH-HEFCMCLBSA-N. The full InChI is InChI=1S/C20H24O3/c1-14-10-18(21)13-20(23-14)17-5-3-4-16(12-17)11-15-6-8-19(22-2)9-7-15/h3-9,12,14,18,20-21H,10-11,13H2,1-2H3/t14-,18+,20-/m1/s1.
What are the key properties of (2R,4S,6R)-2-[3-[(4-methoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol?
(2R,4S,6R)-2-[3-[(4-methoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol has a molecular weight of 312.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6R)-2-[3-[(4-methoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol is sourced from PubChem (CID 142057774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).