1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol

C16H16O5 — CID 61099714

IUPAC1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol
SMILESCOc1ccc(OC)c(C(O)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C16H16O5/c1-18-11-4-6-13(19-2)12(8-11)16(17)10-3-5-14-15(7-10)21-9-20-14/h3-8,16-17H,9H2,1-2H3
InChIKeyRATPYOIEOLIFEE-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.51
Rot. Bonds4

About 1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol

1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol (PubChem CID 61099714) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol
PubChem CID61099714
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol
SMILESCOc1ccc(OC)c(C(O)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C16H16O5/c1-18-11-4-6-13(19-2)12(8-11)16(17)10-3-5-14-15(7-10)21-9-20-14/h3-8,16-17H,9H2,1-2H3
InChIKeyRATPYOIEOLIFEE-UHFFFAOYSA-N
XLogP2.51
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
CID 63895776
1-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,5-dimethoxyphenyl)thiourea
CID 40655610
(4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol
CID 81447590
(2,5-dimethoxyphenyl)-(3-methylphenyl)methanol
CID 61099011
(2,5-dimethoxyphenyl)-(3-fluorophenyl)methanol
CID 61099370
1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol
CID 114518527
2,3-dihydro-1-benzofuran-5-yl-(2,4-dimethoxyphenyl)methanol
CID 61099921
(2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol
CID 79684219
1,3-benzodioxol-5-yl-(2-chloro-4-methoxyphenyl)methanamine
CID 43561827
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 121132648
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 112831404
5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole
CID 141140455

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol?
The IUPAC name of 1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol (CID 61099714) is 1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol?
The canonical SMILES for 1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol is COc1ccc(OC)c(C(O)c2ccc3c(c2)OCO3)c1.
What is the InChIKey of 1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol?
The InChIKey is RATPYOIEOLIFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-18-11-4-6-13(19-2)12(8-11)16(17)10-3-5-14-15(7-10)21-9-20-14/h3-8,16-17H,9H2,1-2H3.
What are the key properties of 1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol?
1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol has a molecular weight of 288.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 61099714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).