methyl 2-(7-methoxy-9-methyl-9H-fluoren-1-yl)acetate

C18H18O3 — CID 70633357

IUPACmethyl 2-(7-methoxy-9-methyl-9H-fluoren-1-yl)acetate
SMILESCOC(=O)Cc1cccc2c1C(C)c1cc(OC)ccc1-2
InChIInChI=1S/C18H18O3/c1-11-16-10-13(20-2)7-8-14(16)15-6-4-5-12(18(11)15)9-17(19)21-3/h4-8,10-11H,9H2,1-3H3
InChIKeyVGNXGWNBQGBMFK-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.54
Rot. Bonds3

About methyl 2-(7-methoxy-9-methyl-9H-fluoren-1-yl)acetate

methyl 2-(7-methoxy-9-methyl-9H-fluoren-1-yl)acetate (PubChem CID 70633357) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 2-(7-methoxy-9-methyl-9H-fluoren-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-methoxy-9-methyl-9H-fluoren-1-yl)acetate
PubChem CID70633357
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Namemethyl 2-(7-methoxy-9-methyl-9H-fluoren-1-yl)acetate
SMILESCOC(=O)Cc1cccc2c1C(C)c1cc(OC)ccc1-2
InChIInChI=1S/C18H18O3/c1-11-16-10-13(20-2)7-8-14(16)15-6-4-5-12(18(11)15)9-17(19)21-3/h4-8,10-11H,9H2,1-3H3
InChIKeyVGNXGWNBQGBMFK-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 170997183
methyl 2-(2-acetyl-5-methoxyphenyl)acetate
CID 10632802
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CID 19356446
methyl 2-[5-methoxy-2-(4-methoxy-2-nitrophenyl)phenyl]acetate
CID 164598415
methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate
CID 21449392
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CID 101450917
methyl 2-(2-cyano-4-methoxyphenyl)acetate
CID 67407512
methyl N-[1-(2-fluoro-2-oxoethyl)-9H-fluoren-9-yl]carbamate
CID 87287953
methyl 5-methoxy-2-(2-methoxyphenyl)benzoate
CID 11844441
methyl 2-(3-hydroxyimino-6-methoxy-1,2-dihydroinden-1-yl)acetate
CID 86650493
2,7,9-trimethoxy-9H-fluorene
CID 155898925
methyl 2-(6-methoxy-2-azatetracyclo[8.5.0.01,11.04,9]pentadeca-2,4(9),5,7,12,14-hexaen-14-yl)acetate
CID 167513393

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-methoxy-9-methyl-9H-fluoren-1-yl)acetate?
The IUPAC name of methyl 2-(7-methoxy-9-methyl-9H-fluoren-1-yl)acetate (CID 70633357) is methyl 2-(7-methoxy-9-methyl-9H-fluoren-1-yl)acetate.
What is the SMILES notation for methyl 2-(7-methoxy-9-methyl-9H-fluoren-1-yl)acetate?
The canonical SMILES for methyl 2-(7-methoxy-9-methyl-9H-fluoren-1-yl)acetate is COC(=O)Cc1cccc2c1C(C)c1cc(OC)ccc1-2.
What is the InChIKey of methyl 2-(7-methoxy-9-methyl-9H-fluoren-1-yl)acetate?
The InChIKey is VGNXGWNBQGBMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-11-16-10-13(20-2)7-8-14(16)15-6-4-5-12(18(11)15)9-17(19)21-3/h4-8,10-11H,9H2,1-3H3.
What are the key properties of methyl 2-(7-methoxy-9-methyl-9H-fluoren-1-yl)acetate?
methyl 2-(7-methoxy-9-methyl-9H-fluoren-1-yl)acetate has a molecular weight of 282.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-methoxy-9-methyl-9H-fluoren-1-yl)acetate is sourced from PubChem (CID 70633357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).