[4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]phenyl]methanol

C21H17ClO3 — CID 164615298

IUPAC[4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]phenyl]methanol
SMILESOCc1ccc(-c2cccc(-c3ccc4c(c3)OCCO4)c2Cl)cc1
InChIInChI=1S/C21H17ClO3/c22-21-17(15-6-4-14(13-23)5-7-15)2-1-3-18(21)16-8-9-19-20(12-16)25-11-10-24-19/h1-9,12,23H,10-11,13H2
InChIKeyDTPFJXRFRRBUES-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.94
Rot. Bonds3

About [4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]phenyl]methanol

[4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]phenyl]methanol (PubChem CID 164615298) has the molecular formula C21H17ClO3 and a molecular weight of 352.82 g/mol. Its IUPAC name is [4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]phenyl]methanol
PubChem CID164615298
Molecular FormulaC21H17ClO3
Molecular Weight352.82 g/mol
Exact Mass352.09
IUPAC Name[4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]phenyl]methanol
SMILESOCc1ccc(-c2cccc(-c3ccc4c(c3)OCCO4)c2Cl)cc1
InChIInChI=1S/C21H17ClO3/c22-21-17(15-6-4-14(13-23)5-7-15)2-1-3-18(21)16-8-9-19-20(12-16)25-11-10-24-19/h1-9,12,23H,10-11,13H2
InChIKeyDTPFJXRFRRBUES-UHFFFAOYSA-N
XLogP4.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]phenyl]methanol
CID 164615718
2-[[4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxyphenyl]methylamino]propane-1,3-diol
CID 164626699
[3-(1,3-benzodioxol-5-yl)phenyl]methanol
CID 118042431
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hydroxymethyl)phenol
CID 174573301
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoroaniline
CID 107602794
6-(2-bromo-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine
CID 138488049
tert-butyl N-[1-[2,6-bis(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-hydroxyethyl]carbamate
CID 166447045
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole
CID 164566293
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)aniline
CID 81274653
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorobenzonitrile
CID 162515176
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185

Frequently Asked Questions

What is the IUPAC name of [4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]phenyl]methanol?
The IUPAC name of [4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]phenyl]methanol (CID 164615298) is [4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]phenyl]methanol.
What is the SMILES notation for [4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]phenyl]methanol?
The canonical SMILES for [4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]phenyl]methanol is OCc1ccc(-c2cccc(-c3ccc4c(c3)OCCO4)c2Cl)cc1.
What is the InChIKey of [4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]phenyl]methanol?
The InChIKey is DTPFJXRFRRBUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClO3/c22-21-17(15-6-4-14(13-23)5-7-15)2-1-3-18(21)16-8-9-19-20(12-16)25-11-10-24-19/h1-9,12,23H,10-11,13H2.
What are the key properties of [4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]phenyl]methanol?
[4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]phenyl]methanol has a molecular weight of 352.82 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]phenyl]methanol is sourced from PubChem (CID 164615298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).