[6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxol-5-yl]methanol

C22H20O5 — CID 10948495

IUPAC[6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxol-5-yl]methanol
SMILESCOc1cc(-c2cc3c(cc2CO)OCO3)ccc1OCc1ccccc1
InChIInChI=1S/C22H20O5/c1-24-20-9-16(7-8-19(20)25-13-15-5-3-2-4-6-15)18-11-22-21(26-14-27-22)10-17(18)12-23/h2-11,23H,12-14H2,1H3
InChIKeyIBXOEVXSNWBMMH-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.16
Rot. Bonds6

About [6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxol-5-yl]methanol

[6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxol-5-yl]methanol (PubChem CID 10948495) has the molecular formula C22H20O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is [6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxol-5-yl]methanol.

Molecular Properties

Compound Name[6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxol-5-yl]methanol
PubChem CID10948495
Molecular FormulaC22H20O5
Molecular Weight364.40 g/mol
Exact Mass364.13
IUPAC Name[6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxol-5-yl]methanol
SMILESCOc1cc(-c2cc3c(cc2CO)OCO3)ccc1OCc1ccccc1
InChIInChI=1S/C22H20O5/c1-24-20-9-16(7-8-19(20)25-13-15-5-3-2-4-6-15)18-11-22-21(26-14-27-22)10-17(18)12-23/h2-11,23H,12-14H2,1H3
InChIKeyIBXOEVXSNWBMMH-UHFFFAOYSA-N
XLogP4.16
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azidomethyl)-6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxole
CID 11058208
(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
CID 53441132
5-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol
CID 23539254
3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
N-(2-aminoethyl)-N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-methoxy-4-phenylmethoxybenzamide
CID 143404845
(7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol
CID 91828142
N-(1,3-benzodioxol-4-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 75453681
4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol
CID 23538933
2,5-bis(3-methoxy-4-phenylmethoxyphenyl)-3,4-bis(2-methylpropyl)furan
CID 19049290
1-[4-(3-methoxy-4-phenylmethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone
CID 141435693
3-methoxy-4-phenylmethoxyaniline
CID 27226

Frequently Asked Questions

What is the IUPAC name of [6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxol-5-yl]methanol?
The IUPAC name of [6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxol-5-yl]methanol (CID 10948495) is [6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxol-5-yl]methanol.
What is the SMILES notation for [6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxol-5-yl]methanol?
The canonical SMILES for [6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxol-5-yl]methanol is COc1cc(-c2cc3c(cc2CO)OCO3)ccc1OCc1ccccc1.
What is the InChIKey of [6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxol-5-yl]methanol?
The InChIKey is IBXOEVXSNWBMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O5/c1-24-20-9-16(7-8-19(20)25-13-15-5-3-2-4-6-15)18-11-22-21(26-14-27-22)10-17(18)12-23/h2-11,23H,12-14H2,1H3.
What are the key properties of [6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxol-5-yl]methanol?
[6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxol-5-yl]methanol has a molecular weight of 364.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxol-5-yl]methanol is sourced from PubChem (CID 10948495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).