2-(1,3-dichloro-5,6-dimethyl-9H-fluoren-9-yl)acetic acid

C17H14Cl2O2 — CID 82579039

IUPAC2-(1,3-dichloro-5,6-dimethyl-9H-fluoren-9-yl)acetic acid
SMILESCc1ccc2c(c1C)-c1cc(Cl)cc(Cl)c1C2CC(=O)O
InChIInChI=1S/C17H14Cl2O2/c1-8-3-4-11-12(7-15(20)21)17-13(16(11)9(8)2)5-10(18)6-14(17)19/h3-6,12H,7H2,1-2H3,(H,20,21)
InChIKeySAHPMQCWNSGYCE-UHFFFAOYSA-N
MW321.20 g/mol
LogP5.20
Rot. Bonds2

About 2-(1,3-dichloro-5,6-dimethyl-9H-fluoren-9-yl)acetic acid

2-(1,3-dichloro-5,6-dimethyl-9H-fluoren-9-yl)acetic acid (PubChem CID 82579039) has the molecular formula C17H14Cl2O2 and a molecular weight of 321.20 g/mol. Its IUPAC name is 2-(1,3-dichloro-5,6-dimethyl-9H-fluoren-9-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-dichloro-5,6-dimethyl-9H-fluoren-9-yl)acetic acid
PubChem CID82579039
Molecular FormulaC17H14Cl2O2
Molecular Weight321.20 g/mol
Exact Mass320.04
IUPAC Name2-(1,3-dichloro-5,6-dimethyl-9H-fluoren-9-yl)acetic acid
SMILESCc1ccc2c(c1C)-c1cc(Cl)cc(Cl)c1C2CC(=O)O
InChIInChI=1S/C17H14Cl2O2/c1-8-3-4-11-12(7-15(20)21)17-13(16(11)9(8)2)5-10(18)6-14(17)19/h3-6,12H,7H2,1-2H3,(H,20,21)
InChIKeySAHPMQCWNSGYCE-UHFFFAOYSA-N
XLogP5.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.20
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dichloro-5,6-dimethyl-9H-fluoren-9-yl)acetic acid?
The IUPAC name of 2-(1,3-dichloro-5,6-dimethyl-9H-fluoren-9-yl)acetic acid (CID 82579039) is 2-(1,3-dichloro-5,6-dimethyl-9H-fluoren-9-yl)acetic acid.
What is the SMILES notation for 2-(1,3-dichloro-5,6-dimethyl-9H-fluoren-9-yl)acetic acid?
The canonical SMILES for 2-(1,3-dichloro-5,6-dimethyl-9H-fluoren-9-yl)acetic acid is Cc1ccc2c(c1C)-c1cc(Cl)cc(Cl)c1C2CC(=O)O.
What is the InChIKey of 2-(1,3-dichloro-5,6-dimethyl-9H-fluoren-9-yl)acetic acid?
The InChIKey is SAHPMQCWNSGYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O2/c1-8-3-4-11-12(7-15(20)21)17-13(16(11)9(8)2)5-10(18)6-14(17)19/h3-6,12H,7H2,1-2H3,(H,20,21).
What are the key properties of 2-(1,3-dichloro-5,6-dimethyl-9H-fluoren-9-yl)acetic acid?
2-(1,3-dichloro-5,6-dimethyl-9H-fluoren-9-yl)acetic acid has a molecular weight of 321.20 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dichloro-5,6-dimethyl-9H-fluoren-9-yl)acetic acid is sourced from PubChem (CID 82579039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).