3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid

C18H16O2 — CID 169461084

IUPAC3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid
SMILESCC1(C)c2ccccc2-c2ccc(C=CC(=O)O)cc21
InChIInChI=1S/C18H16O2/c1-18(2)15-6-4-3-5-13(15)14-9-7-12(11-16(14)18)8-10-17(19)20/h3-11H,1-2H3,(H,19,20)
InChIKeyOZPJSPGDYXAIAC-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.09
Rot. Bonds2

About 3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid

3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid (PubChem CID 169461084) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid
PubChem CID169461084
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid
SMILESCC1(C)c2ccccc2-c2ccc(C=CC(=O)O)cc21
InChIInChI=1S/C18H16O2/c1-18(2)15-6-4-3-5-13(15)14-9-7-12(11-16(14)18)8-10-17(19)20/h3-11H,1-2H3,(H,19,20)
InChIKeyOZPJSPGDYXAIAC-UHFFFAOYSA-N
XLogP4.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(9,9-dimethylfluoren-2-yl)but-3-enamide
CID 170798912
3-[6'-(2-carboxyethenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]prop-2-enoic acid
CID 175176320
9,9-dimethyl-2-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217045
4-(9,9-dimethylfluoren-2-yl)but-3-enenitrile
CID 170800688
N-(9,9-dimethylfluoren-2-yl)-7-[(E)-2-[4-[4-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59246228
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883844
(E)-3-[9,9-dimethyl-7-[(1Z,3Z)-3-methylpenta-1,3-dienyl]fluoren-3-yl]-2-methylprop-2-enal
CID 144597281
bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone
CID 58922078
butane;2-[4-[(E)-2-(9,9-dimethylfluoren-2-yl)ethenyl]phenyl]butan-2-amine
CID 143743214
7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 59246429
3-(9,9-dimethylfluoren-2-yl)azetidine
CID 154791424
7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 91310997

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid?
The IUPAC name of 3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid (CID 169461084) is 3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid?
The canonical SMILES for 3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid is CC1(C)c2ccccc2-c2ccc(C=CC(=O)O)cc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid?
The InChIKey is OZPJSPGDYXAIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-18(2)15-6-4-3-5-13(15)14-9-7-12(11-16(14)18)8-10-17(19)20/h3-11H,1-2H3,(H,19,20).
What are the key properties of 3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid?
3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid has a molecular weight of 264.32 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid is sourced from PubChem (CID 169461084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).