(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol

C18H22O4 — CID 101270093

IUPAC(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
SMILESCOc1cccc([C@](C)(O)[C@@](C)(O)c2cccc(OC)c2)c1
InChIInChI=1S/C18H22O4/c1-17(19,13-7-5-9-15(11-13)21-3)18(2,20)14-8-6-10-16(12-14)22-4/h5-12,19-20H,1-4H3/t17-,18-/m0/s1
InChIKeyKYACXFYHDCXZLL-ROUUACIJSA-N
MW302.37 g/mol
LogP2.82
Rot. Bonds5

About (2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol

(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol (PubChem CID 101270093) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol.

Molecular Properties

Compound Name(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
PubChem CID101270093
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
SMILESCOc1cccc([C@](C)(O)[C@@](C)(O)c2cccc(OC)c2)c1
InChIInChI=1S/C18H22O4/c1-17(19,13-7-5-9-15(11-13)21-3)18(2,20)14-8-6-10-16(12-14)22-4/h5-12,19-20H,1-4H3/t17-,18-/m0/s1
InChIKeyKYACXFYHDCXZLL-ROUUACIJSA-N
XLogP2.82
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
3-hydroxy-3-(3-methoxyphenyl)-2,2-dimethylbutanenitrile
CID 79130927
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562
2-(3-methoxyphenyl)-4-methylpent-3-en-2-ol
CID 79190775
1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol
CID 102581302
2-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol
CID 62787623
1-(3-methoxyphenyl)-1-naphthalen-2-ylethanol
CID 62787792

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol?
The IUPAC name of (2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol (CID 101270093) is (2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol.
What is the SMILES notation for (2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol?
The canonical SMILES for (2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol is COc1cccc([C@](C)(O)[C@@](C)(O)c2cccc(OC)c2)c1.
What is the InChIKey of (2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol?
The InChIKey is KYACXFYHDCXZLL-ROUUACIJSA-N. The full InChI is InChI=1S/C18H22O4/c1-17(19,13-7-5-9-15(11-13)21-3)18(2,20)14-8-6-10-16(12-14)22-4/h5-12,19-20H,1-4H3/t17-,18-/m0/s1.
What are the key properties of (2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol?
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol has a molecular weight of 302.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol is sourced from PubChem (CID 101270093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).