(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol

C17H20O4 — CID 7707238

IUPAC(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
SMILESCOc1ccccc1C(O)(c1ccccc1OC)[C@H](C)O
InChIInChI=1S/C17H20O4/c1-12(18)17(19,13-8-4-6-10-15(13)20-2)14-9-5-7-11-16(14)21-3/h4-12,18-19H,1-3H3/t12-/m0/s1
InChIKeyICHXPQLRGLLPPL-LBPRGKRZSA-N
MW288.34 g/mol
LogP2.32
Rot. Bonds5

About (2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol

(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol (PubChem CID 7707238) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is (2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol.

Molecular Properties

Compound Name(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
PubChem CID7707238
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
SMILESCOc1ccccc1C(O)(c1ccccc1OC)[C@H](C)O
InChIInChI=1S/C17H20O4/c1-12(18)17(19,13-8-4-6-10-15(13)20-2)14-9-5-7-11-16(14)21-3/h4-12,18-19H,1-3H3/t12-/m0/s1
InChIKeyICHXPQLRGLLPPL-LBPRGKRZSA-N
XLogP2.32
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol 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-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
2-amino-1-[bis(2-methoxyphenyl)-phenylmethoxy]propan-1-ol
CID 67730640
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
3-hydroxy-3-(2-methoxyphenyl)-2-methylbutanenitrile
CID 79130467
2,3-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]cyclopropane-1,1-dicarboxamide
CID 141117149
3-(2-methoxyphenyl)penta-1,4-diyn-3-ol
CID 11056360
2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(2-methoxyphenyl)butan-1-ol
CID 139745305
2-(2-methoxyphenyl)-3-methylhexan-2-ol
CID 107892512
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol
CID 11778513
(2R)-2-amino-1,1-bis(2-methoxyphenyl)-2-naphthalen-2-ylethanol
CID 66807925

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol?
The IUPAC name of (2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol (CID 7707238) is (2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol.
What is the SMILES notation for (2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol?
The canonical SMILES for (2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol is COc1ccccc1C(O)(c1ccccc1OC)[C@H](C)O.
What is the InChIKey of (2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol?
The InChIKey is ICHXPQLRGLLPPL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20O4/c1-12(18)17(19,13-8-4-6-10-15(13)20-2)14-9-5-7-11-16(14)21-3/h4-12,18-19H,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol?
(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol has a molecular weight of 288.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol is sourced from PubChem (CID 7707238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).