[10-(hydroxymethyl)-3-methyl-9,10-dihydroanthracen-9-yl]methanol

C17H18O2 — CID 3498568

IUPAC[10-(hydroxymethyl)-3-methyl-9,10-dihydroanthracen-9-yl]methanol
SMILESCc1ccc2c(c1)C(CO)c1ccccc1C2CO
InChIInChI=1S/C17H18O2/c1-11-6-7-14-15(8-11)17(10-19)13-5-3-2-4-12(13)16(14)9-18/h2-8,16-19H,9-10H2,1H3
InChIKeyPVSZDJBTZKGKGF-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.56
Rot. Bonds2

About [10-(hydroxymethyl)-3-methyl-9,10-dihydroanthracen-9-yl]methanol

[10-(hydroxymethyl)-3-methyl-9,10-dihydroanthracen-9-yl]methanol (PubChem CID 3498568) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is [10-(hydroxymethyl)-3-methyl-9,10-dihydroanthracen-9-yl]methanol.

Molecular Properties

Compound Name[10-(hydroxymethyl)-3-methyl-9,10-dihydroanthracen-9-yl]methanol
PubChem CID3498568
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name[10-(hydroxymethyl)-3-methyl-9,10-dihydroanthracen-9-yl]methanol
SMILESCc1ccc2c(c1)C(CO)c1ccccc1C2CO
InChIInChI=1S/C17H18O2/c1-11-6-7-14-15(8-11)17(10-19)13-5-3-2-4-12(13)16(14)9-18/h2-8,16-19H,9-10H2,1H3
InChIKeyPVSZDJBTZKGKGF-UHFFFAOYSA-N
XLogP2.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [10-(hydroxymethyl)-3-methyl-9,10-dihydroanthracen-9-yl]methanol?
The IUPAC name of [10-(hydroxymethyl)-3-methyl-9,10-dihydroanthracen-9-yl]methanol (CID 3498568) is [10-(hydroxymethyl)-3-methyl-9,10-dihydroanthracen-9-yl]methanol.
What is the SMILES notation for [10-(hydroxymethyl)-3-methyl-9,10-dihydroanthracen-9-yl]methanol?
The canonical SMILES for [10-(hydroxymethyl)-3-methyl-9,10-dihydroanthracen-9-yl]methanol is Cc1ccc2c(c1)C(CO)c1ccccc1C2CO.
What is the InChIKey of [10-(hydroxymethyl)-3-methyl-9,10-dihydroanthracen-9-yl]methanol?
The InChIKey is PVSZDJBTZKGKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-11-6-7-14-15(8-11)17(10-19)13-5-3-2-4-12(13)16(14)9-18/h2-8,16-19H,9-10H2,1H3.
What are the key properties of [10-(hydroxymethyl)-3-methyl-9,10-dihydroanthracen-9-yl]methanol?
[10-(hydroxymethyl)-3-methyl-9,10-dihydroanthracen-9-yl]methanol has a molecular weight of 254.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(hydroxymethyl)-3-methyl-9,10-dihydroanthracen-9-yl]methanol is sourced from PubChem (CID 3498568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).