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

C22H20O3 — CID 164615718

IUPAC[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]phenyl]methanol
SMILESCc1c(-c2ccc(CO)cc2)cccc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H20O3/c1-15-19(17-7-5-16(14-23)6-8-17)3-2-4-20(15)18-9-10-21-22(13-18)25-12-11-24-21/h2-10,13,23H,11-12,14H2,1H3
InChIKeyRROCQWVRDHEKQM-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.59
Rot. Bonds3

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

[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]phenyl]methanol (PubChem CID 164615718) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is [4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]phenyl]methanol
PubChem CID164615718
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]phenyl]methanol
SMILESCc1c(-c2ccc(CO)cc2)cccc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H20O3/c1-15-19(17-7-5-16(14-23)6-8-17)3-2-4-20(15)18-9-10-21-22(13-18)25-12-11-24-21/h2-10,13,23H,11-12,14H2,1H3
InChIKeyRROCQWVRDHEKQM-UHFFFAOYSA-N
XLogP4.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]phenyl]methanol?
The IUPAC name of [4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]phenyl]methanol (CID 164615718) is [4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]phenyl]methanol.
What is the SMILES notation for [4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]phenyl]methanol?
The canonical SMILES for [4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]phenyl]methanol is Cc1c(-c2ccc(CO)cc2)cccc1-c1ccc2c(c1)OCCO2.
What is the InChIKey of [4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]phenyl]methanol?
The InChIKey is RROCQWVRDHEKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-15-19(17-7-5-16(14-23)6-8-17)3-2-4-20(15)18-9-10-21-22(13-18)25-12-11-24-21/h2-10,13,23H,11-12,14H2,1H3.
What are the key properties of [4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]phenyl]methanol?
[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]phenyl]methanol has a molecular weight of 332.40 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]phenyl]methanol is sourced from PubChem (CID 164615718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).