(2Z)-2-(4-chloro-5-hydroxyfluoren-9-ylidene)acetic acid

C15H9ClO3 — CID 82578817

IUPAC(2Z)-2-(4-chloro-5-hydroxyfluoren-9-ylidene)acetic acid
SMILESO=C(O)/C=C1/c2cccc(O)c2-c2c(Cl)cccc21
InChIInChI=1S/C15H9ClO3/c16-11-5-1-3-8-10(7-13(18)19)9-4-2-6-12(17)15(9)14(8)11/h1-7,17H,(H,18,19)/b10-7+
InChIKeyKERUWLBZVCQWBK-JXMROGBWSA-N
MW272.69 g/mol
LogP3.54
Rot. Bonds1

About (2Z)-2-(4-chloro-5-hydroxyfluoren-9-ylidene)acetic acid

(2Z)-2-(4-chloro-5-hydroxyfluoren-9-ylidene)acetic acid (PubChem CID 82578817) has the molecular formula C15H9ClO3 and a molecular weight of 272.69 g/mol. Its IUPAC name is (2Z)-2-(4-chloro-5-hydroxyfluoren-9-ylidene)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(4-chloro-5-hydroxyfluoren-9-ylidene)acetic acid
PubChem CID82578817
Molecular FormulaC15H9ClO3
Molecular Weight272.69 g/mol
Exact Mass272.02
IUPAC Name(2Z)-2-(4-chloro-5-hydroxyfluoren-9-ylidene)acetic acid
SMILESO=C(O)/C=C1/c2cccc(O)c2-c2c(Cl)cccc21
InChIInChI=1S/C15H9ClO3/c16-11-5-1-3-8-10(7-13(18)19)9-4-2-6-12(17)15(9)14(8)11/h1-7,17H,(H,18,19)/b10-7+
InChIKeyKERUWLBZVCQWBK-JXMROGBWSA-N
XLogP3.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4-chloro-5-hydroxyfluoren-9-ylidene)acetic acid?
The IUPAC name of (2Z)-2-(4-chloro-5-hydroxyfluoren-9-ylidene)acetic acid (CID 82578817) is (2Z)-2-(4-chloro-5-hydroxyfluoren-9-ylidene)acetic acid.
What is the SMILES notation for (2Z)-2-(4-chloro-5-hydroxyfluoren-9-ylidene)acetic acid?
The canonical SMILES for (2Z)-2-(4-chloro-5-hydroxyfluoren-9-ylidene)acetic acid is O=C(O)/C=C1/c2cccc(O)c2-c2c(Cl)cccc21.
What is the InChIKey of (2Z)-2-(4-chloro-5-hydroxyfluoren-9-ylidene)acetic acid?
The InChIKey is KERUWLBZVCQWBK-JXMROGBWSA-N. The full InChI is InChI=1S/C15H9ClO3/c16-11-5-1-3-8-10(7-13(18)19)9-4-2-6-12(17)15(9)14(8)11/h1-7,17H,(H,18,19)/b10-7+.
What are the key properties of (2Z)-2-(4-chloro-5-hydroxyfluoren-9-ylidene)acetic acid?
(2Z)-2-(4-chloro-5-hydroxyfluoren-9-ylidene)acetic acid has a molecular weight of 272.69 g/mol, XLogP of 3.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4-chloro-5-hydroxyfluoren-9-ylidene)acetic acid is sourced from PubChem (CID 82578817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).