[3-(1,3-benzodioxol-5-yl)phenyl]methanol

C14H12O3 — CID 118042431

IUPAC[3-(1,3-benzodioxol-5-yl)phenyl]methanol
SMILESOCc1cccc(-c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C14H12O3/c15-8-10-2-1-3-11(6-10)12-4-5-13-14(7-12)17-9-16-13/h1-7,15H,8-9H2
InChIKeyDTAUVSHLQPGECF-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.57
Rot. Bonds2

About [3-(1,3-benzodioxol-5-yl)phenyl]methanol

[3-(1,3-benzodioxol-5-yl)phenyl]methanol (PubChem CID 118042431) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is [3-(1,3-benzodioxol-5-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(1,3-benzodioxol-5-yl)phenyl]methanol
PubChem CID118042431
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name[3-(1,3-benzodioxol-5-yl)phenyl]methanol
SMILESOCc1cccc(-c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C14H12O3/c15-8-10-2-1-3-11(6-10)12-4-5-13-14(7-12)17-9-16-13/h1-7,15H,8-9H2
InChIKeyDTAUVSHLQPGECF-UHFFFAOYSA-N
XLogP2.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
CID 135316044
1-(1,3-benzodioxol-5-ylmethyl)-7-[3-(hydroxymethyl)phenyl]-5H-4,1-benzoxazepin-2-one
CID 71448321
4-(1,3-benzodioxol-5-yl)benzene-1,2-diol
CID 141023999
5-(3-nitrophenyl)-1,3-benzodioxole
CID 71197366
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]phenyl]methanol
CID 164615718
methyl 3-(1,3-benzodioxol-5-yl)benzoate
CID 50888522
[4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]phenyl]methanol
CID 164615298
1-[3-(1,3-benzodioxol-5-yl)phenyl]ethanamine
CID 82541897
[2-(1,3-benzodioxol-5-yl)-1-benzofuran-3-yl]methanol
CID 11380149
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-[4-(dimethylamino)phenyl]phenyl]ethanone
CID 123782603
1-[3-(1,3-benzodioxol-5-yl)phenyl]-N-methylethanamine
CID 82540311

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzodioxol-5-yl)phenyl]methanol?
The IUPAC name of [3-(1,3-benzodioxol-5-yl)phenyl]methanol (CID 118042431) is [3-(1,3-benzodioxol-5-yl)phenyl]methanol.
What is the SMILES notation for [3-(1,3-benzodioxol-5-yl)phenyl]methanol?
The canonical SMILES for [3-(1,3-benzodioxol-5-yl)phenyl]methanol is OCc1cccc(-c2ccc3c(c2)OCO3)c1.
What is the InChIKey of [3-(1,3-benzodioxol-5-yl)phenyl]methanol?
The InChIKey is DTAUVSHLQPGECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-8-10-2-1-3-11(6-10)12-4-5-13-14(7-12)17-9-16-13/h1-7,15H,8-9H2.
What are the key properties of [3-(1,3-benzodioxol-5-yl)phenyl]methanol?
[3-(1,3-benzodioxol-5-yl)phenyl]methanol has a molecular weight of 228.25 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzodioxol-5-yl)phenyl]methanol is sourced from PubChem (CID 118042431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).