9-methyl-10H-anthracen-9-ol;9-methylfluoren-9-ol;9-methylxanthen-9-ol

C43H38O4 — CID 158296275

IUPAC9-methyl-10H-anthracen-9-ol;9-methylfluoren-9-ol;9-methylxanthen-9-ol
SMILESCC1(O)c2ccccc2-c2ccccc21.CC1(O)c2ccccc2Cc2ccccc21.CC1(O)c2ccccc2Oc2ccccc21
InChIInChI=1S/C15H14O.C14H12O2.C14H12O/c1-15(16)13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15;1-14(15)10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14;1-14(15)12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9,16H,10H2,1H3;2-9,15H,1H3;2-9,15H,1H3
InChIKeyGLYDPVWRPTZEPG-UHFFFAOYSA-N
MW618.77 g/mol
LogP8.82
Rot. Bonds

About 9-methyl-10H-anthracen-9-ol;9-methylfluoren-9-ol;9-methylxanthen-9-ol

9-methyl-10H-anthracen-9-ol;9-methylfluoren-9-ol;9-methylxanthen-9-ol (PubChem CID 158296275) has the molecular formula C43H38O4 and a molecular weight of 618.77 g/mol. Its IUPAC name is 9-methyl-10H-anthracen-9-ol;9-methylfluoren-9-ol;9-methylxanthen-9-ol.

Molecular Properties

Compound Name9-methyl-10H-anthracen-9-ol;9-methylfluoren-9-ol;9-methylxanthen-9-ol
PubChem CID158296275
Molecular FormulaC43H38O4
Molecular Weight618.77 g/mol
Exact Mass618.28
IUPAC Name9-methyl-10H-anthracen-9-ol;9-methylfluoren-9-ol;9-methylxanthen-9-ol
SMILESCC1(O)c2ccccc2-c2ccccc21.CC1(O)c2ccccc2Cc2ccccc21.CC1(O)c2ccccc2Oc2ccccc21
InChIInChI=1S/C15H14O.C14H12O2.C14H12O/c1-15(16)13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15;1-14(15)10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14;1-14(15)12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9,16H,10H2,1H3;2-9,15H,1H3;2-9,15H,1H3
InChIKeyGLYDPVWRPTZEPG-UHFFFAOYSA-N
XLogP8.82
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.77
LogP ≤ 58.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-10H-anthracen-9-ol;9-methylfluoren-9-ol;9-methylxanthen-9-ol?
The IUPAC name of 9-methyl-10H-anthracen-9-ol;9-methylfluoren-9-ol;9-methylxanthen-9-ol (CID 158296275) is 9-methyl-10H-anthracen-9-ol;9-methylfluoren-9-ol;9-methylxanthen-9-ol.
What is the SMILES notation for 9-methyl-10H-anthracen-9-ol;9-methylfluoren-9-ol;9-methylxanthen-9-ol?
The canonical SMILES for 9-methyl-10H-anthracen-9-ol;9-methylfluoren-9-ol;9-methylxanthen-9-ol is CC1(O)c2ccccc2-c2ccccc21.CC1(O)c2ccccc2Cc2ccccc21.CC1(O)c2ccccc2Oc2ccccc21.
What is the InChIKey of 9-methyl-10H-anthracen-9-ol;9-methylfluoren-9-ol;9-methylxanthen-9-ol?
The InChIKey is GLYDPVWRPTZEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O.C14H12O2.C14H12O/c1-15(16)13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15;1-14(15)10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14;1-14(15)12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9,16H,10H2,1H3;2-9,15H,1H3;2-9,15H,1H3.
What are the key properties of 9-methyl-10H-anthracen-9-ol;9-methylfluoren-9-ol;9-methylxanthen-9-ol?
9-methyl-10H-anthracen-9-ol;9-methylfluoren-9-ol;9-methylxanthen-9-ol has a molecular weight of 618.77 g/mol, XLogP of 8.82, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10H-anthracen-9-ol;9-methylfluoren-9-ol;9-methylxanthen-9-ol is sourced from PubChem (CID 158296275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).