(2R,3S)-4,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-ol

C20H26O3 — CID 53474824

IUPAC(2R,3S)-4,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-ol
SMILESCOc1ccc(C(c2ccc(OC)cc2)[C@H](C)[C@@H](C)CO)cc1
InChIInChI=1S/C20H26O3/c1-14(13-21)15(2)20(16-5-9-18(22-3)10-6-16)17-7-11-19(23-4)12-8-17/h5-12,14-15,20-21H,13H2,1-4H3/t14-,15+/m0/s1
InChIKeyKNNDRKYGLWRDFU-LSDHHAIUSA-N
MW314.43 g/mol
LogP4.10
Rot. Bonds7

About (2R,3S)-4,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-ol

(2R,3S)-4,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-ol (PubChem CID 53474824) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2R,3S)-4,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name(2R,3S)-4,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-ol
PubChem CID53474824
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name(2R,3S)-4,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-ol
SMILESCOc1ccc(C(c2ccc(OC)cc2)[C@H](C)[C@@H](C)CO)cc1
InChIInChI=1S/C20H26O3/c1-14(13-21)15(2)20(16-5-9-18(22-3)10-6-16)17-7-11-19(23-4)12-8-17/h5-12,14-15,20-21H,13H2,1-4H3/t14-,15+/m0/s1
InChIKeyKNNDRKYGLWRDFU-LSDHHAIUSA-N
XLogP4.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1,1-bis(4-methoxyphenyl)propan-2-ol
CID 91746525
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
(2R)-2-fluoro-2-(4-methoxyphenyl)ethanol
CID 130626363
4-(4-methoxyphenyl)pentane-1,2-diol
CID 83932154
(3R,4S)-6-[(4-methoxyphenyl)methoxy]-2,3,4-trimethylhexane-1,5-diol
CID 90293150
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
2-chloro-1-(4-methoxyphenyl)propane-1,3-diol
CID 10420893
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
3-(4-chlorophenyl)-3-(4-methoxyanilino)-2-methylpropan-1-ol
CID 72751636
CID 175713586
CID 175713586
(2R)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol
CID 97112691

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-ol?
The IUPAC name of (2R,3S)-4,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-ol (CID 53474824) is (2R,3S)-4,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-ol.
What is the SMILES notation for (2R,3S)-4,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-ol?
The canonical SMILES for (2R,3S)-4,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-ol is COc1ccc(C(c2ccc(OC)cc2)[C@H](C)[C@@H](C)CO)cc1.
What is the InChIKey of (2R,3S)-4,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-ol?
The InChIKey is KNNDRKYGLWRDFU-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H26O3/c1-14(13-21)15(2)20(16-5-9-18(22-3)10-6-16)17-7-11-19(23-4)12-8-17/h5-12,14-15,20-21H,13H2,1-4H3/t14-,15+/m0/s1.
What are the key properties of (2R,3S)-4,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-ol?
(2R,3S)-4,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-ol has a molecular weight of 314.43 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-ol is sourced from PubChem (CID 53474824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).