(2Z)-2-(1,3,5-trimethylfluoren-9-ylidene)acetic acid

C18H16O2 — CID 82578838

IUPAC(2Z)-2-(1,3,5-trimethylfluoren-9-ylidene)acetic acid
SMILESCc1cc(C)c2c(c1)-c1c(C)cccc1/C2=C/C(=O)O
InChIInChI=1S/C18H16O2/c1-10-7-12(3)18-14(9-16(19)20)13-6-4-5-11(2)17(13)15(18)8-10/h4-9H,1-3H3,(H,19,20)/b14-9-
InChIKeyPONDURICTZBRIB-ZROIWOOFSA-N
MW264.32 g/mol
LogP4.11
Rot. Bonds1

About (2Z)-2-(1,3,5-trimethylfluoren-9-ylidene)acetic acid

(2Z)-2-(1,3,5-trimethylfluoren-9-ylidene)acetic acid (PubChem CID 82578838) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2Z)-2-(1,3,5-trimethylfluoren-9-ylidene)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(1,3,5-trimethylfluoren-9-ylidene)acetic acid
PubChem CID82578838
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name(2Z)-2-(1,3,5-trimethylfluoren-9-ylidene)acetic acid
SMILESCc1cc(C)c2c(c1)-c1c(C)cccc1/C2=C/C(=O)O
InChIInChI=1S/C18H16O2/c1-10-7-12(3)18-14(9-16(19)20)13-6-4-5-11(2)17(13)15(18)8-10/h4-9H,1-3H3,(H,19,20)/b14-9-
InChIKeyPONDURICTZBRIB-ZROIWOOFSA-N
XLogP4.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z)-2-(1,3,5-trimethylfluoren-9-ylidene)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-2-(5,7-dimethylindeno[1,2-b]thiophen-4-ylidene)acetic acid
CID 82578837
(2Z)-2-(9-methylindeno[1,2-b]pyridin-5-ylidene)acetic acid
CID 82578871
(2E)-2-(1,3-dimethylfluoren-9-ylidene)acetaldehyde
CID 129409548
2,6-bis(2,4,6-trimethylphenyl)benzoate
CID 102375892
(9E)-9-ethylidene-1,3-dimethylfluorene
CID 10900143
3,7,9-trimethylfluoranthene
CID 123365780
5-fluoro-1,3-dimethylfluoren-9-one
CID 82579551
(2Z)-2-(5-fluoro-2-methoxyfluoren-9-ylidene)acetic acid
CID 82578770
2-(2,6-dimethylphenyl)-1,3,5-trimethyl-4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)phenyl]phenyl]benzene
CID 57209426
benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+))
CID 139162852
phosphoroso-[2-(2,4,6-trimethylphenyl)phenyl]methanone
CID 87885777
(2E)-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetic acid
CID 22724617

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1,3,5-trimethylfluoren-9-ylidene)acetic acid?
The IUPAC name of (2Z)-2-(1,3,5-trimethylfluoren-9-ylidene)acetic acid (CID 82578838) is (2Z)-2-(1,3,5-trimethylfluoren-9-ylidene)acetic acid.
What is the SMILES notation for (2Z)-2-(1,3,5-trimethylfluoren-9-ylidene)acetic acid?
The canonical SMILES for (2Z)-2-(1,3,5-trimethylfluoren-9-ylidene)acetic acid is Cc1cc(C)c2c(c1)-c1c(C)cccc1/C2=C/C(=O)O.
What is the InChIKey of (2Z)-2-(1,3,5-trimethylfluoren-9-ylidene)acetic acid?
The InChIKey is PONDURICTZBRIB-ZROIWOOFSA-N. The full InChI is InChI=1S/C18H16O2/c1-10-7-12(3)18-14(9-16(19)20)13-6-4-5-11(2)17(13)15(18)8-10/h4-9H,1-3H3,(H,19,20)/b14-9-.
What are the key properties of (2Z)-2-(1,3,5-trimethylfluoren-9-ylidene)acetic acid?
(2Z)-2-(1,3,5-trimethylfluoren-9-ylidene)acetic acid has a molecular weight of 264.32 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1,3,5-trimethylfluoren-9-ylidene)acetic acid is sourced from PubChem (CID 82578838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).