10H-anthracen-9-one;ethane;methanol

C17H20O2 — CID 90976205

IUPAC10H-anthracen-9-one;ethane;methanol
SMILESCC.CO.O=C1c2ccccc2Cc2ccccc21
InChIInChI=1S/C14H10O.C2H6.CH4O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;2*1-2/h1-8H,9H2;1-2H3;2H,1H3
InChIKeyGCXNOPKPRBIIPC-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.46
Rot. Bonds

About 10H-anthracen-9-one;ethane;methanol

10H-anthracen-9-one;ethane;methanol (PubChem CID 90976205) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 10H-anthracen-9-one;ethane;methanol.

Molecular Properties

Compound Name10H-anthracen-9-one;ethane;methanol
PubChem CID90976205
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name10H-anthracen-9-one;ethane;methanol
SMILESCC.CO.O=C1c2ccccc2Cc2ccccc21
InChIInChI=1S/C14H10O.C2H6.CH4O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;2*1-2/h1-8H,9H2;1-2H3;2H,1H3
InChIKeyGCXNOPKPRBIIPC-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10H-anthracen-9-one;fluoren-9-one
CID 67642372
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
ethane;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 91187219
ethane;bis(fluoren-9-one);methanol
CID 162250310
9H-fluorene;methanesulfonic acid
CID 172770963
12,13-dimethoxynonacyclo[50.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50]hexapentaconta-1(56),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54-tetracosaene-2,23-dione
CID 10101903
2,3-ditert-butyl-10H-anthracen-9-one
CID 58769690
CID 89225791
CID 89225791
acetic acid;azane;9H-fluorene
CID 174966259
2-ethylidene-3H-inden-1-one
CID 58198195
(2E)-2-(aminomethylidene)-3H-inden-1-one
CID 3037167
ethane;9H-fluorene;propanoic acid
CID 90836645

Frequently Asked Questions

What is the IUPAC name of 10H-anthracen-9-one;ethane;methanol?
The IUPAC name of 10H-anthracen-9-one;ethane;methanol (CID 90976205) is 10H-anthracen-9-one;ethane;methanol.
What is the SMILES notation for 10H-anthracen-9-one;ethane;methanol?
The canonical SMILES for 10H-anthracen-9-one;ethane;methanol is CC.CO.O=C1c2ccccc2Cc2ccccc21.
What is the InChIKey of 10H-anthracen-9-one;ethane;methanol?
The InChIKey is GCXNOPKPRBIIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O.C2H6.CH4O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;2*1-2/h1-8H,9H2;1-2H3;2H,1H3.
What are the key properties of 10H-anthracen-9-one;ethane;methanol?
10H-anthracen-9-one;ethane;methanol has a molecular weight of 256.34 g/mol, XLogP of 3.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-anthracen-9-one;ethane;methanol is sourced from PubChem (CID 90976205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).