8-chloro-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one;propane

C16H19ClO2 — CID 143668944

IUPAC8-chloro-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one;propane
SMILESCCC.O=C1C=C2c3ccc(O)c(Cl)c3CC2CC1
InChIInChI=1S/C13H11ClO2.C3H8/c14-13-11-5-7-1-2-8(15)6-10(7)9(11)3-4-12(13)16;1-3-2/h3-4,6-7,16H,1-2,5H2;3H2,1-2H3
InChIKeyXTDRCYVGGMQWLS-UHFFFAOYSA-N
MW278.78 g/mol
LogP4.38
Rot. Bonds

About 8-chloro-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one;propane

8-chloro-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one;propane (PubChem CID 143668944) has the molecular formula C16H19ClO2 and a molecular weight of 278.78 g/mol. Its IUPAC name is 8-chloro-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one;propane.

Molecular Properties

Compound Name8-chloro-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one;propane
PubChem CID143668944
Molecular FormulaC16H19ClO2
Molecular Weight278.78 g/mol
Exact Mass278.11
IUPAC Name8-chloro-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one;propane
SMILESCCC.O=C1C=C2c3ccc(O)c(Cl)c3CC2CC1
InChIInChI=1S/C13H11ClO2.C3H8/c14-13-11-5-7-1-2-8(15)6-10(7)9(11)3-4-12(13)16;1-3-2/h3-4,6-7,16H,1-2,5H2;3H2,1-2H3
InChIKeyXTDRCYVGGMQWLS-UHFFFAOYSA-N
XLogP4.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one;propane?
The IUPAC name of 8-chloro-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one;propane (CID 143668944) is 8-chloro-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one;propane.
What is the SMILES notation for 8-chloro-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one;propane?
The canonical SMILES for 8-chloro-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one;propane is CCC.O=C1C=C2c3ccc(O)c(Cl)c3CC2CC1.
What is the InChIKey of 8-chloro-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one;propane?
The InChIKey is XTDRCYVGGMQWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2.C3H8/c14-13-11-5-7-1-2-8(15)6-10(7)9(11)3-4-12(13)16;1-3-2/h3-4,6-7,16H,1-2,5H2;3H2,1-2H3.
What are the key properties of 8-chloro-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one;propane?
8-chloro-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one;propane has a molecular weight of 278.78 g/mol, XLogP of 4.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one;propane is sourced from PubChem (CID 143668944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).