2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid

C17H16O2 — CID 82578908

IUPAC2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid
SMILESCc1cccc2c1-c1c(C)cccc1C2CC(=O)O
InChIInChI=1S/C17H16O2/c1-10-5-3-7-12-14(9-15(18)19)13-8-4-6-11(2)17(13)16(10)12/h3-8,14H,9H2,1-2H3,(H,18,19)
InChIKeyDXNCTCJVYCOREM-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.89
Rot. Bonds2

About 2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid

2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid (PubChem CID 82578908) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid.

Molecular Properties

Compound Name2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid
PubChem CID82578908
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid
SMILESCc1cccc2c1-c1c(C)cccc1C2CC(=O)O
InChIInChI=1S/C17H16O2/c1-10-5-3-7-12-14(9-15(18)19)13-8-4-6-11(2)17(13)16(10)12/h3-8,14H,9H2,1-2H3,(H,18,19)
InChIKeyDXNCTCJVYCOREM-UHFFFAOYSA-N
XLogP3.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-5-methyl-9H-fluoren-9-yl)acetic acid
CID 82578915
3-(4-methyl-9H-fluoren-9-yl)propanoic acid
CID 15045078
9-(carboxymethyl)-5,6-dimethyl-9H-fluorene-2-carboxylic acid
CID 82579038
2-(5-fluoro-2-methoxy-9H-fluoren-9-yl)acetic acid
CID 82578945
2-(9H-xanthen-9-yl)acetic acid
CID 834662
2-(2-methyl-1H-inden-1-yl)acetic acid
CID 150876820
2-(1,3-dichloro-5,6-dimethyl-9H-fluoren-9-yl)acetic acid
CID 82579039
4,5,9-trimethyl-9H-fluorene
CID 20673052
2-(2,2,4-trimethyl-1,3-dihydroinden-1-yl)acetic acid
CID 83910210
2-(7-methyl-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 82125541
2-(5-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid
CID 115023982
2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid
CID 82578898

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid?
The IUPAC name of 2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid (CID 82578908) is 2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid.
What is the SMILES notation for 2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid?
The canonical SMILES for 2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid is Cc1cccc2c1-c1c(C)cccc1C2CC(=O)O.
What is the InChIKey of 2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid?
The InChIKey is DXNCTCJVYCOREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-10-5-3-7-12-14(9-15(18)19)13-8-4-6-11(2)17(13)16(10)12/h3-8,14H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid?
2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid has a molecular weight of 252.31 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid is sourced from PubChem (CID 82578908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).