[3-[[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methoxymethyl]phenyl]methanol

C23H22O4 — CID 144823151

IUPAC[3-[[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methoxymethyl]phenyl]methanol
SMILESOCc1cccc(COCc2ccc3c(c2)COc2cc(CO)ccc2-3)c1
InChIInChI=1S/C23H22O4/c24-11-16-2-1-3-18(8-16)13-26-14-19-5-6-21-20(9-19)15-27-23-10-17(12-25)4-7-22(21)23/h1-10,24-25H,11-15H2
InChIKeyPZSMQWQWVUARCT-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.95
Rot. Bonds6

About [3-[[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methoxymethyl]phenyl]methanol

[3-[[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methoxymethyl]phenyl]methanol (PubChem CID 144823151) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is [3-[[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methoxymethyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methoxymethyl]phenyl]methanol
PubChem CID144823151
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name[3-[[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methoxymethyl]phenyl]methanol
SMILESOCc1cccc(COCc2ccc3c(c2)COc2cc(CO)ccc2-3)c1
InChIInChI=1S/C23H22O4/c24-11-16-2-1-3-18(8-16)13-26-14-19-5-6-21-20(9-19)15-27-23-10-17(12-25)4-7-22(21)23/h1-10,24-25H,11-15H2
InChIKeyPZSMQWQWVUARCT-UHFFFAOYSA-N
XLogP3.95
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methoxymethyl]phenyl]methanol?
The IUPAC name of [3-[[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methoxymethyl]phenyl]methanol (CID 144823151) is [3-[[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methoxymethyl]phenyl]methanol.
What is the SMILES notation for [3-[[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methoxymethyl]phenyl]methanol?
The canonical SMILES for [3-[[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methoxymethyl]phenyl]methanol is OCc1cccc(COCc2ccc3c(c2)COc2cc(CO)ccc2-3)c1.
What is the InChIKey of [3-[[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methoxymethyl]phenyl]methanol?
The InChIKey is PZSMQWQWVUARCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c24-11-16-2-1-3-18(8-16)13-26-14-19-5-6-21-20(9-19)15-27-23-10-17(12-25)4-7-22(21)23/h1-10,24-25H,11-15H2.
What are the key properties of [3-[[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methoxymethyl]phenyl]methanol?
[3-[[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methoxymethyl]phenyl]methanol has a molecular weight of 362.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methoxymethyl]phenyl]methanol is sourced from PubChem (CID 144823151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).