methoxy formate;phenyl-(3-propan-2-ylphenyl)methanone

C18H20O4 — CID 142574607

IUPACmethoxy formate;phenyl-(3-propan-2-ylphenyl)methanone
SMILESCC(C)c1cccc(C(=O)c2ccccc2)c1.COOC=O
InChIInChI=1S/C16H16O.C2H4O3/c1-12(2)14-9-6-10-15(11-14)16(17)13-7-4-3-5-8-13;1-4-5-2-3/h3-12H,1-2H3;2H,1H3
InChIKeyGGQCROYHDYASLU-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.76
Rot. Bonds5

About methoxy formate;phenyl-(3-propan-2-ylphenyl)methanone

methoxy formate;phenyl-(3-propan-2-ylphenyl)methanone (PubChem CID 142574607) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is methoxy formate;phenyl-(3-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Namemethoxy formate;phenyl-(3-propan-2-ylphenyl)methanone
PubChem CID142574607
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Namemethoxy formate;phenyl-(3-propan-2-ylphenyl)methanone
SMILESCC(C)c1cccc(C(=O)c2ccccc2)c1.COOC=O
InChIInChI=1S/C16H16O.C2H4O3/c1-12(2)14-9-6-10-15(11-14)16(17)13-7-4-3-5-8-13;1-4-5-2-3/h3-12H,1-2H3;2H,1H3
InChIKeyGGQCROYHDYASLU-UHFFFAOYSA-N
XLogP3.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
CID 66964934
CID 66964934
2-(3-benzoylphenyl)-3-methylbutanoic acid
CID 134119890
CID 157056025
CID 157056025
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate
CID 129318918
2-(3-benzoylphenyl)propanoic acid;(E)-but-2-enedioic acid
CID 67837917
sodium (2S)-2-(3-benzoylphenyl)propanoate
CID 67762789
4-(3-benzoylphenyl)-1-methoxypent-1-en-1-olate
CID 123740541
2-(3-benzoylphenyl)propanoic acid;phenol
CID 161129325

Frequently Asked Questions

What is the IUPAC name of methoxy formate;phenyl-(3-propan-2-ylphenyl)methanone?
The IUPAC name of methoxy formate;phenyl-(3-propan-2-ylphenyl)methanone (CID 142574607) is methoxy formate;phenyl-(3-propan-2-ylphenyl)methanone.
What is the SMILES notation for methoxy formate;phenyl-(3-propan-2-ylphenyl)methanone?
The canonical SMILES for methoxy formate;phenyl-(3-propan-2-ylphenyl)methanone is CC(C)c1cccc(C(=O)c2ccccc2)c1.COOC=O.
What is the InChIKey of methoxy formate;phenyl-(3-propan-2-ylphenyl)methanone?
The InChIKey is GGQCROYHDYASLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O.C2H4O3/c1-12(2)14-9-6-10-15(11-14)16(17)13-7-4-3-5-8-13;1-4-5-2-3/h3-12H,1-2H3;2H,1H3.
What are the key properties of methoxy formate;phenyl-(3-propan-2-ylphenyl)methanone?
methoxy formate;phenyl-(3-propan-2-ylphenyl)methanone has a molecular weight of 300.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy formate;phenyl-(3-propan-2-ylphenyl)methanone is sourced from PubChem (CID 142574607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).