(2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol

C23H26O5 — CID 100966821

IUPAC(2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol
SMILESCOc1ccc(COC[C@@H](O)[C@@H](O)COCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H26O5/c1-26-21-10-7-17(8-11-21)13-27-15-22(24)23(25)16-28-14-18-6-9-19-4-2-3-5-20(19)12-18/h2-12,22-25H,13-16H2,1H3/t22-,23+/m1/s1
InChIKeyNHRRFVBPADUWNM-PKTZIBPZSA-N
MW382.46 g/mol
LogP3.30
Rot. Bonds10

About (2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol

(2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol (PubChem CID 100966821) has the molecular formula C23H26O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is (2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol.

Molecular Properties

Compound Name(2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol
PubChem CID100966821
Molecular FormulaC23H26O5
Molecular Weight382.46 g/mol
Exact Mass382.18
IUPAC Name(2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol
SMILESCOc1ccc(COC[C@@H](O)[C@@H](O)COCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H26O5/c1-26-21-10-7-17(8-11-21)13-27-15-22(24)23(25)16-28-14-18-6-9-19-4-2-3-5-20(19)12-18/h2-12,22-25H,13-16H2,1H3/t22-,23+/m1/s1
InChIKeyNHRRFVBPADUWNM-PKTZIBPZSA-N
XLogP3.30
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol with MolForge

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Related Compounds

(1S,2R)-1-(furan-2-yl)-3-(naphthalen-2-ylmethoxy)propane-1,2-diol
CID 10979416
(2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol
CID 10690012
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
1-(naphthalen-2-ylmethoxy)-4-sulfanylbutan-2-ol
CID 88891115
(3R,4S)-6-[(4-methoxyphenyl)methoxy]-2,3,4-trimethylhexane-1,5-diol
CID 90293150
2-(ethoxymethyl)naphthalene
CID 11063138
(4S,5R)-6-[(4-methoxyphenyl)methoxy]-4-methylhex-2-yne-1,5-diol
CID 11747474
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
(2R)-3-[(4-methoxyphenyl)methoxy]-2-phenylpropan-1-ol
CID 101173435
(2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol
CID 11695341
(3S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenylmethoxybutan-2-one
CID 10860440

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol?
The IUPAC name of (2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol (CID 100966821) is (2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol.
What is the SMILES notation for (2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol?
The canonical SMILES for (2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol is COc1ccc(COC[C@@H](O)[C@@H](O)COCc2ccc3ccccc3c2)cc1.
What is the InChIKey of (2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol?
The InChIKey is NHRRFVBPADUWNM-PKTZIBPZSA-N. The full InChI is InChI=1S/C23H26O5/c1-26-21-10-7-17(8-11-21)13-27-15-22(24)23(25)16-28-14-18-6-9-19-4-2-3-5-20(19)12-18/h2-12,22-25H,13-16H2,1H3/t22-,23+/m1/s1.
What are the key properties of (2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol?
(2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol has a molecular weight of 382.46 g/mol, XLogP of 3.30, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol is sourced from PubChem (CID 100966821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).