4-[1,2-bis(2-methoxyphenoxy)propyl]-2-methoxyphenol

C24H26O6 — CID 71407033

IUPAC4-[1,2-bis(2-methoxyphenoxy)propyl]-2-methoxyphenol
SMILESCOc1cc(C(Oc2ccccc2OC)C(C)Oc2ccccc2OC)ccc1O
InChIInChI=1S/C24H26O6/c1-16(29-21-11-7-5-9-19(21)26-2)24(17-13-14-18(25)23(15-17)28-4)30-22-12-8-6-10-20(22)27-3/h5-16,24-25H,1-4H3
InChIKeyBZXZPEZVSAKTML-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.01
Rot. Bonds9

About 4-[1,2-bis(2-methoxyphenoxy)propyl]-2-methoxyphenol

4-[1,2-bis(2-methoxyphenoxy)propyl]-2-methoxyphenol (PubChem CID 71407033) has the molecular formula C24H26O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-[1,2-bis(2-methoxyphenoxy)propyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1,2-bis(2-methoxyphenoxy)propyl]-2-methoxyphenol
PubChem CID71407033
Molecular FormulaC24H26O6
Molecular Weight410.47 g/mol
Exact Mass410.17
IUPAC Name4-[1,2-bis(2-methoxyphenoxy)propyl]-2-methoxyphenol
SMILESCOc1cc(C(Oc2ccccc2OC)C(C)Oc2ccccc2OC)ccc1O
InChIInChI=1S/C24H26O6/c1-16(29-21-11-7-5-9-19(21)26-2)24(17-13-14-18(25)23(15-17)28-4)30-22-12-8-6-10-20(22)27-3/h5-16,24-25H,1-4H3
InChIKeyBZXZPEZVSAKTML-UHFFFAOYSA-N
XLogP5.01
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1S,2R)-1-hydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenol
CID 744362
1-[4-[1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]phenyl]ethanone
CID 101366320
2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol
CID 15098594
2-[4-[2-[4-[1,3-dihydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenoxy]-1,3-dihydroxypropyl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 132938044
1-deuterio-1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propan-1-ol
CID 122224274
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
2-methoxy-4-(1-methylsulfanylethyl)phenol
CID 86126303
4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
(2R,3R,4S,5R,6S)-2-[[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]methyl]-6-methoxyoxane-3,4,5-triol
CID 10672883
1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one
CID 86575310

Frequently Asked Questions

What is the IUPAC name of 4-[1,2-bis(2-methoxyphenoxy)propyl]-2-methoxyphenol?
The IUPAC name of 4-[1,2-bis(2-methoxyphenoxy)propyl]-2-methoxyphenol (CID 71407033) is 4-[1,2-bis(2-methoxyphenoxy)propyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1,2-bis(2-methoxyphenoxy)propyl]-2-methoxyphenol?
The canonical SMILES for 4-[1,2-bis(2-methoxyphenoxy)propyl]-2-methoxyphenol is COc1cc(C(Oc2ccccc2OC)C(C)Oc2ccccc2OC)ccc1O.
What is the InChIKey of 4-[1,2-bis(2-methoxyphenoxy)propyl]-2-methoxyphenol?
The InChIKey is BZXZPEZVSAKTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O6/c1-16(29-21-11-7-5-9-19(21)26-2)24(17-13-14-18(25)23(15-17)28-4)30-22-12-8-6-10-20(22)27-3/h5-16,24-25H,1-4H3.
What are the key properties of 4-[1,2-bis(2-methoxyphenoxy)propyl]-2-methoxyphenol?
4-[1,2-bis(2-methoxyphenoxy)propyl]-2-methoxyphenol has a molecular weight of 410.47 g/mol, XLogP of 5.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,2-bis(2-methoxyphenoxy)propyl]-2-methoxyphenol is sourced from PubChem (CID 71407033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).