7-chloro-9,10-dihydrophenanthrene-2-carboxylic acid

C15H11ClO2 — CID 10422666

IUPAC7-chloro-9,10-dihydrophenanthrene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCc1cc(Cl)ccc1-2
InChIInChI=1S/C15H11ClO2/c16-12-4-6-14-10(8-12)2-1-9-7-11(15(17)18)3-5-13(9)14/h3-8H,1-2H2,(H,17,18)
InChIKeyBWULSTPROIYNKK-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.80
Rot. Bonds1

About 7-chloro-9,10-dihydrophenanthrene-2-carboxylic acid

7-chloro-9,10-dihydrophenanthrene-2-carboxylic acid (PubChem CID 10422666) has the molecular formula C15H11ClO2 and a molecular weight of 258.70 g/mol. Its IUPAC name is 7-chloro-9,10-dihydrophenanthrene-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-9,10-dihydrophenanthrene-2-carboxylic acid
PubChem CID10422666
Molecular FormulaC15H11ClO2
Molecular Weight258.70 g/mol
Exact Mass258.04
IUPAC Name7-chloro-9,10-dihydrophenanthrene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCc1cc(Cl)ccc1-2
InChIInChI=1S/C15H11ClO2/c16-12-4-6-14-10(8-12)2-1-9-7-11(15(17)18)3-5-13(9)14/h3-8H,1-2H2,(H,17,18)
InChIKeyBWULSTPROIYNKK-UHFFFAOYSA-N
XLogP3.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-9,10-dihydrophenanthrene-2-carboxylic acid?
The IUPAC name of 7-chloro-9,10-dihydrophenanthrene-2-carboxylic acid (CID 10422666) is 7-chloro-9,10-dihydrophenanthrene-2-carboxylic acid.
What is the SMILES notation for 7-chloro-9,10-dihydrophenanthrene-2-carboxylic acid?
The canonical SMILES for 7-chloro-9,10-dihydrophenanthrene-2-carboxylic acid is O=C(O)c1ccc2c(c1)CCc1cc(Cl)ccc1-2.
What is the InChIKey of 7-chloro-9,10-dihydrophenanthrene-2-carboxylic acid?
The InChIKey is BWULSTPROIYNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO2/c16-12-4-6-14-10(8-12)2-1-9-7-11(15(17)18)3-5-13(9)14/h3-8H,1-2H2,(H,17,18).
What are the key properties of 7-chloro-9,10-dihydrophenanthrene-2-carboxylic acid?
7-chloro-9,10-dihydrophenanthrene-2-carboxylic acid has a molecular weight of 258.70 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-9,10-dihydrophenanthrene-2-carboxylic acid is sourced from PubChem (CID 10422666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).