(2E)-2-(2-ethyl-5-methoxyfluoren-9-ylidene)acetic acid

C18H16O3 — CID 82578804

IUPAC(2E)-2-(2-ethyl-5-methoxyfluoren-9-ylidene)acetic acid
SMILESCCc1ccc2c(c1)/C(=C\C(=O)O)c1cccc(OC)c1-2
InChIInChI=1S/C18H16O3/c1-3-11-7-8-13-14(9-11)15(10-17(19)20)12-5-4-6-16(21-2)18(12)13/h4-10H,3H2,1-2H3,(H,19,20)/b15-10-
InChIKeyRAUKROUDKFUWMC-GDNBJRDFSA-N
MW280.32 g/mol
LogP3.75
Rot. Bonds3

About (2E)-2-(2-ethyl-5-methoxyfluoren-9-ylidene)acetic acid

(2E)-2-(2-ethyl-5-methoxyfluoren-9-ylidene)acetic acid (PubChem CID 82578804) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2E)-2-(2-ethyl-5-methoxyfluoren-9-ylidene)acetic acid.

Molecular Properties

Compound Name(2E)-2-(2-ethyl-5-methoxyfluoren-9-ylidene)acetic acid
PubChem CID82578804
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name(2E)-2-(2-ethyl-5-methoxyfluoren-9-ylidene)acetic acid
SMILESCCc1ccc2c(c1)/C(=C\C(=O)O)c1cccc(OC)c1-2
InChIInChI=1S/C18H16O3/c1-3-11-7-8-13-14(9-11)15(10-17(19)20)12-5-4-6-16(21-2)18(12)13/h4-10H,3H2,1-2H3,(H,19,20)/b15-10-
InChIKeyRAUKROUDKFUWMC-GDNBJRDFSA-N
XLogP3.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(5-fluoro-2-methoxyfluoren-9-ylidene)acetic acid
CID 82578770
2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one
CID 82267769
4-ethyl-2-methoxybenzoic acid
CID 18687349
5-ethyl-2-methoxybenzoic acid
CID 20721149
(2,6-dimethoxyphenyl)-(4-ethylphenyl)methanone
CID 43338330
(2Z)-2-(2-fluoro-7-methoxyfluoren-9-ylidene)acetic acid
CID 82578784
(2Z)-2-(2-fluorofluoren-9-ylidene)acetic acid
CID 82578717
1-ethenyl-3-ethylbenzene;1-ethenyl-2-methoxybenzene
CID 122483401
acetic acid;[(3Z)-2-ethyl-7-methoxy-3-[(2-phenylphenyl)methylidene]inden-1-yl]methanol
CID 142003075
(2E)-2-(4-methoxy-3-methyl-2,3-dihydroinden-1-ylidene)acetic acid
CID 82079221
(2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid
CID 107663541
(E)-4-(5-ethyl-2-methoxyphenyl)-4-(methylamino)but-2-enoic acid
CID 116956314

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-ethyl-5-methoxyfluoren-9-ylidene)acetic acid?
The IUPAC name of (2E)-2-(2-ethyl-5-methoxyfluoren-9-ylidene)acetic acid (CID 82578804) is (2E)-2-(2-ethyl-5-methoxyfluoren-9-ylidene)acetic acid.
What is the SMILES notation for (2E)-2-(2-ethyl-5-methoxyfluoren-9-ylidene)acetic acid?
The canonical SMILES for (2E)-2-(2-ethyl-5-methoxyfluoren-9-ylidene)acetic acid is CCc1ccc2c(c1)/C(=C\C(=O)O)c1cccc(OC)c1-2.
What is the InChIKey of (2E)-2-(2-ethyl-5-methoxyfluoren-9-ylidene)acetic acid?
The InChIKey is RAUKROUDKFUWMC-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H16O3/c1-3-11-7-8-13-14(9-11)15(10-17(19)20)12-5-4-6-16(21-2)18(12)13/h4-10H,3H2,1-2H3,(H,19,20)/b15-10-.
What are the key properties of (2E)-2-(2-ethyl-5-methoxyfluoren-9-ylidene)acetic acid?
(2E)-2-(2-ethyl-5-methoxyfluoren-9-ylidene)acetic acid has a molecular weight of 280.32 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-ethyl-5-methoxyfluoren-9-ylidene)acetic acid is sourced from PubChem (CID 82578804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).