2-(9H-fluoren-1-yl)hex-2-enoic acid

C19H18O2 — CID 150307642

IUPAC2-(9H-fluoren-1-yl)hex-2-enoic acid
SMILESCCCC=C(C(=O)O)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C19H18O2/c1-2-3-8-17(19(20)21)16-11-6-10-15-14-9-5-4-7-13(14)12-18(15)16/h4-11H,2-3,12H2,1H3,(H,20,21)
InChIKeyGKYAMYQNXMJNDK-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.53
Rot. Bonds4

About 2-(9H-fluoren-1-yl)hex-2-enoic acid

2-(9H-fluoren-1-yl)hex-2-enoic acid (PubChem CID 150307642) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(9H-fluoren-1-yl)hex-2-enoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-1-yl)hex-2-enoic acid
PubChem CID150307642
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name2-(9H-fluoren-1-yl)hex-2-enoic acid
SMILESCCCC=C(C(=O)O)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C19H18O2/c1-2-3-8-17(19(20)21)16-11-6-10-15-14-9-5-4-7-13(14)12-18(15)16/h4-11H,2-3,12H2,1H3,(H,20,21)
InChIKeyGKYAMYQNXMJNDK-UHFFFAOYSA-N
XLogP4.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.53
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

2-(9H-fluoren-1-yl)-5-phenoxypent-2-enoic acid
CID 150361087
1-(9H-fluoren-1-yl)hexadecan-1-one
CID 139905434
9H-fluorene-1-carboxamide
CID 18474131
1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene
CID 162095077
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
1-hept-1-en-2-yl-9H-fluorene
CID 90871277
1-nona-3,8-dien-3-yl-9H-fluorene
CID 150361439
1-(9H-fluoren-1-yl)-2-methylprop-2-en-1-one;hydrate
CID 172842462
benzyl 9H-fluorene-1-carboxylate
CID 148546959
1-(1-phenylethenyl)-9H-fluorene
CID 151698887
9H-fluorene;propanoic acid
CID 67831567
9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
CID 158991215

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-1-yl)hex-2-enoic acid?
The IUPAC name of 2-(9H-fluoren-1-yl)hex-2-enoic acid (CID 150307642) is 2-(9H-fluoren-1-yl)hex-2-enoic acid.
What is the SMILES notation for 2-(9H-fluoren-1-yl)hex-2-enoic acid?
The canonical SMILES for 2-(9H-fluoren-1-yl)hex-2-enoic acid is CCCC=C(C(=O)O)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 2-(9H-fluoren-1-yl)hex-2-enoic acid?
The InChIKey is GKYAMYQNXMJNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-2-3-8-17(19(20)21)16-11-6-10-15-14-9-5-4-7-13(14)12-18(15)16/h4-11H,2-3,12H2,1H3,(H,20,21).
What are the key properties of 2-(9H-fluoren-1-yl)hex-2-enoic acid?
2-(9H-fluoren-1-yl)hex-2-enoic acid has a molecular weight of 278.35 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-1-yl)hex-2-enoic acid is sourced from PubChem (CID 150307642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).