ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane

C17H22O3 — CID 91515590

IUPACethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
SMILESCC.COC.O=C(c1ccccc1)c1ccccc1O
InChIInChI=1S/C13H10O2.C2H6O.C2H6/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;1-3-2;1-2/h1-9,14H;1-2H3;1-2H3
InChIKeyVAHNQHJGCXGHIF-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.91
Rot. Bonds2

About ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane

ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane (PubChem CID 91515590) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane.

Molecular Properties

Compound Nameethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
PubChem CID91515590
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Nameethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
SMILESCC.COC.O=C(c1ccccc1)c1ccccc1O
InChIInChI=1S/C13H10O2.C2H6O.C2H6/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;1-3-2;1-2/h1-9,14H;1-2H3;1-2H3
InChIKeyVAHNQHJGCXGHIF-UHFFFAOYSA-N
XLogP3.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 172864174
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methyl 4-benzoyl-3-hydroxybenzoate
CID 132545644
CID 175499515
CID 175499515
diphenylmethanone;ethane
CID 158014879
benzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one)
CID 157064621
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
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(3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
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CID 67415935

Frequently Asked Questions

What is the IUPAC name of ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane?
The IUPAC name of ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane (CID 91515590) is ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane.
What is the SMILES notation for ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane?
The canonical SMILES for ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane is CC.COC.O=C(c1ccccc1)c1ccccc1O.
What is the InChIKey of ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane?
The InChIKey is VAHNQHJGCXGHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2.C2H6O.C2H6/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;1-3-2;1-2/h1-9,14H;1-2H3;1-2H3.
What are the key properties of ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane?
ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane has a molecular weight of 274.36 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane is sourced from PubChem (CID 91515590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).