1-methoxy-2-[(2R,3S)-3-[(4-methoxyphenyl)methoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxybenzene

C33H36O6 — CID 10506341

IUPAC1-methoxy-2-[(2R,3S)-3-[(4-methoxyphenyl)methoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxybenzene
SMILESCOc1ccc(CO[C@@H](COCc2ccccc2)[C@@H](COCc2ccccc2)Oc2ccccc2OC)cc1
InChIInChI=1S/C33H36O6/c1-34-29-19-17-28(18-20-29)23-38-32(24-36-21-26-11-5-3-6-12-26)33(25-37-22-27-13-7-4-8-14-27)39-31-16-10-9-15-30(31)35-2/h3-20,32-33H,21-25H2,1-2H3/t32-,33+/m0/s1
InChIKeyBKHOYUHQAFBGMQ-JHOUSYSJSA-N
MW528.64 g/mol
LogP6.47
Rot. Bonds16

About 1-methoxy-2-[(2R,3S)-3-[(4-methoxyphenyl)methoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxybenzene

1-methoxy-2-[(2R,3S)-3-[(4-methoxyphenyl)methoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxybenzene (PubChem CID 10506341) has the molecular formula C33H36O6 and a molecular weight of 528.64 g/mol. Its IUPAC name is 1-methoxy-2-[(2R,3S)-3-[(4-methoxyphenyl)methoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxybenzene.

Molecular Properties

Compound Name1-methoxy-2-[(2R,3S)-3-[(4-methoxyphenyl)methoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxybenzene
PubChem CID10506341
Molecular FormulaC33H36O6
Molecular Weight528.64 g/mol
Exact Mass528.25
IUPAC Name1-methoxy-2-[(2R,3S)-3-[(4-methoxyphenyl)methoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxybenzene
SMILESCOc1ccc(CO[C@@H](COCc2ccccc2)[C@@H](COCc2ccccc2)Oc2ccccc2OC)cc1
InChIInChI=1S/C33H36O6/c1-34-29-19-17-28(18-20-29)23-38-32(24-36-21-26-11-5-3-6-12-26)33(25-37-22-27-13-7-4-8-14-27)39-31-16-10-9-15-30(31)35-2/h3-20,32-33H,21-25H2,1-2H3/t32-,33+/m0/s1
InChIKeyBKHOYUHQAFBGMQ-JHOUSYSJSA-N
XLogP6.47
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.64
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
CID 10985612
(3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one
CID 11255470
(2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol
CID 10690012
(2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol
CID 141348712
(2R)-2-[(1S)-2-[(4-methoxyphenyl)methoxy]-1-phenylmethoxyethyl]oxirane
CID 140633194
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
(2S,3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-ol
CID 121462720
(2R,3S)-4-[(4-methoxyphenyl)methoxy]-3-[(4-methylphenyl)methoxy]butane-1,2-diol
CID 140633173
(2R,3S,4S,5R)-1,6-bis[(4-methylphenyl)methoxy]-2,5-bis(phenylmethoxy)hexane-3,4-diol
CID 3011280
2,5-bis[(4-fluorophenyl)methoxy]-1,6-bis(phenylmethoxy)hexane-3,4-diol
CID 18358352
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
1-methoxy-4-(phenylmethoxymethyltellanylmethyl)benzene
CID 58884213

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[(2R,3S)-3-[(4-methoxyphenyl)methoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxybenzene?
The IUPAC name of 1-methoxy-2-[(2R,3S)-3-[(4-methoxyphenyl)methoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxybenzene (CID 10506341) is 1-methoxy-2-[(2R,3S)-3-[(4-methoxyphenyl)methoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxybenzene.
What is the SMILES notation for 1-methoxy-2-[(2R,3S)-3-[(4-methoxyphenyl)methoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxybenzene?
The canonical SMILES for 1-methoxy-2-[(2R,3S)-3-[(4-methoxyphenyl)methoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxybenzene is COc1ccc(CO[C@@H](COCc2ccccc2)[C@@H](COCc2ccccc2)Oc2ccccc2OC)cc1.
What is the InChIKey of 1-methoxy-2-[(2R,3S)-3-[(4-methoxyphenyl)methoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxybenzene?
The InChIKey is BKHOYUHQAFBGMQ-JHOUSYSJSA-N. The full InChI is InChI=1S/C33H36O6/c1-34-29-19-17-28(18-20-29)23-38-32(24-36-21-26-11-5-3-6-12-26)33(25-37-22-27-13-7-4-8-14-27)39-31-16-10-9-15-30(31)35-2/h3-20,32-33H,21-25H2,1-2H3/t32-,33+/m0/s1.
What are the key properties of 1-methoxy-2-[(2R,3S)-3-[(4-methoxyphenyl)methoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxybenzene?
1-methoxy-2-[(2R,3S)-3-[(4-methoxyphenyl)methoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxybenzene has a molecular weight of 528.64 g/mol, XLogP of 6.47, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[(2R,3S)-3-[(4-methoxyphenyl)methoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxybenzene is sourced from PubChem (CID 10506341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).