(7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol

C15H14O4 — CID 91828142

IUPAC(7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol
SMILESOCc1cc2c(c(OCc3ccccc3)c1)OCO2
InChIInChI=1S/C15H14O4/c16-8-12-6-13(15-14(7-12)18-10-19-15)17-9-11-4-2-1-3-5-11/h1-7,16H,8-10H2
InChIKeyDGYYHOOABDEJRD-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.49
Rot. Bonds4

About (7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol

(7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol (PubChem CID 91828142) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is (7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol.

Molecular Properties

Compound Name(7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol
PubChem CID91828142
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name(7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol
SMILESOCc1cc2c(c(OCc3ccccc3)c1)OCO2
InChIInChI=1S/C15H14O4/c16-8-12-6-13(15-14(7-12)18-10-19-15)17-9-11-4-2-1-3-5-11/h1-7,16H,8-10H2
InChIKeyDGYYHOOABDEJRD-UHFFFAOYSA-N
XLogP2.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenylmethoxy-1,3-benzodioxole
CID 14180566
[3-bromo-4,5-bis(phenylmethoxy)phenyl]methanol
CID 10431016
5-phenyl-4-phenylmethoxy-1,3-benzodioxole
CID 70629497
[6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxol-5-yl]methanol
CID 10948495
7-[2-(bromomethyl)-3-methylbutyl]-5-phenylmethoxy-2,3-dihydro-1,4-benzodioxine
CID 22924630
(4-chloro-3-phenylmethoxyphenyl)methanol
CID 66724752
(3-chloro-4-fluoro-5-phenylmethoxyphenyl)methanol
CID 164895501
1,3-benzodioxol-5-ylmethyl-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]azanium
CID 7458480
(5,6-difluoro-4-phenylmethoxynaphthalen-2-yl)methanol
CID 169228106
6-[2-[7-(2-hydroxyethoxy)-1,3-benzodioxol-5-yl]ethyl]-1,3-benzodioxol-4-ol
CID 175639724
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
(1S,2R,3S)-1-(1,3-benzodioxol-5-yl)-3-(2-phenylmethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 59967873

Frequently Asked Questions

What is the IUPAC name of (7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol?
The IUPAC name of (7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol (CID 91828142) is (7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol.
What is the SMILES notation for (7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol?
The canonical SMILES for (7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol is OCc1cc2c(c(OCc3ccccc3)c1)OCO2.
What is the InChIKey of (7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol?
The InChIKey is DGYYHOOABDEJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c16-8-12-6-13(15-14(7-12)18-10-19-15)17-9-11-4-2-1-3-5-11/h1-7,16H,8-10H2.
What are the key properties of (7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol?
(7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol has a molecular weight of 258.27 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol is sourced from PubChem (CID 91828142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).