(6S)-6-[(4-chlorophenyl)methyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

C15H15ClO2 — CID 102284595

IUPAC(6S)-6-[(4-chlorophenyl)methyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESO=C1C2=C(CCCO2)C[C@@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClO2/c16-13-5-3-10(4-6-13)8-12-9-11-2-1-7-18-15(11)14(12)17/h3-6,12H,1-2,7-9H2/t12-/m0/s1
InChIKeyXVMZUWHBPGOMPQ-LBPRGKRZSA-N
MW262.74 g/mol
LogP3.54
Rot. Bonds2

About (6S)-6-[(4-chlorophenyl)methyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

(6S)-6-[(4-chlorophenyl)methyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 102284595) has the molecular formula C15H15ClO2 and a molecular weight of 262.74 g/mol. Its IUPAC name is (6S)-6-[(4-chlorophenyl)methyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name(6S)-6-[(4-chlorophenyl)methyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID102284595
Molecular FormulaC15H15ClO2
Molecular Weight262.74 g/mol
Exact Mass262.08
IUPAC Name(6S)-6-[(4-chlorophenyl)methyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESO=C1C2=C(CCCO2)C[C@@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClO2/c16-13-5-3-10(4-6-13)8-12-9-11-2-1-7-18-15(11)14(12)17/h3-6,12H,1-2,7-9H2/t12-/m0/s1
InChIKeyXVMZUWHBPGOMPQ-LBPRGKRZSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 4-(4-chlorophenyl)-2-oxobutanoate
CID 13201328
[5-(4-Chlorophenyl)-3-oxocyclohexen-1-yl] acetate
CID 2806100
(6S)-6-benzyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 102284593
3-(2-Chlorophenyl)-2-methoxycyclohex-2-en-1-one
CID 146166065
1-[2-Acetyl-4-(4-chlorophenyl)-2-fluoro-3,4-dihydropyran-6-yl]ethanone
CID 118351380
Ethyl 6-acetyl-4-(4-chlorophenyl)-2-fluoro-3,4-dihydropyran-2-carboxylate
CID 118351409
(7S)-8-(4-chlorophenyl)-3-methoxy-7-methylbicyclo[4.2.0]oct-3-ene-2,5-dione
CID 373531
5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 11160203
(6S)-6-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 11206665
(2R,5R)-2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 16733560
(5S,6S)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 24866080
(4-Chlorophenyl)(tetrahydro-2-furanyl)methanone
CID 43160403

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(4-chlorophenyl)methyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of (6S)-6-[(4-chlorophenyl)methyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 102284595) is (6S)-6-[(4-chlorophenyl)methyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for (6S)-6-[(4-chlorophenyl)methyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for (6S)-6-[(4-chlorophenyl)methyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is O=C1C2=C(CCCO2)C[C@@H]1Cc1ccc(Cl)cc1.
What is the InChIKey of (6S)-6-[(4-chlorophenyl)methyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is XVMZUWHBPGOMPQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15ClO2/c16-13-5-3-10(4-6-13)8-12-9-11-2-1-7-18-15(11)14(12)17/h3-6,12H,1-2,7-9H2/t12-/m0/s1.
What are the key properties of (6S)-6-[(4-chlorophenyl)methyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
(6S)-6-[(4-chlorophenyl)methyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 262.74 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(4-chlorophenyl)methyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 102284595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).