2-(1,2,3,4-tetrahydrophenanthren-9-yl)-2,3-dihydropyran-6-one

C19H18O2 — CID 132607318

IUPAC2-(1,2,3,4-tetrahydrophenanthren-9-yl)-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(c2cc3c(c4ccccc24)CCCC3)O1
InChIInChI=1S/C19H18O2/c20-19-11-5-10-18(21-19)17-12-13-6-1-2-7-14(13)15-8-3-4-9-16(15)17/h3-5,8-9,11-12,18H,1-2,6-7,10H2
InChIKeyJQGMMGKDXPSWHB-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.26
Rot. Bonds1

About 2-(1,2,3,4-tetrahydrophenanthren-9-yl)-2,3-dihydropyran-6-one

2-(1,2,3,4-tetrahydrophenanthren-9-yl)-2,3-dihydropyran-6-one (PubChem CID 132607318) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydrophenanthren-9-yl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydrophenanthren-9-yl)-2,3-dihydropyran-6-one
PubChem CID132607318
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name2-(1,2,3,4-tetrahydrophenanthren-9-yl)-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(c2cc3c(c4ccccc24)CCCC3)O1
InChIInChI=1S/C19H18O2/c20-19-11-5-10-18(21-19)17-12-13-6-1-2-7-14(13)15-8-3-4-9-16(15)17/h3-5,8-9,11-12,18H,1-2,6-7,10H2
InChIKeyJQGMMGKDXPSWHB-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydrophenanthren-9-yl)-2,3-dihydropyran-6-one?
The IUPAC name of 2-(1,2,3,4-tetrahydrophenanthren-9-yl)-2,3-dihydropyran-6-one (CID 132607318) is 2-(1,2,3,4-tetrahydrophenanthren-9-yl)-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-(1,2,3,4-tetrahydrophenanthren-9-yl)-2,3-dihydropyran-6-one?
The canonical SMILES for 2-(1,2,3,4-tetrahydrophenanthren-9-yl)-2,3-dihydropyran-6-one is O=C1C=CCC(c2cc3c(c4ccccc24)CCCC3)O1.
What is the InChIKey of 2-(1,2,3,4-tetrahydrophenanthren-9-yl)-2,3-dihydropyran-6-one?
The InChIKey is JQGMMGKDXPSWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c20-19-11-5-10-18(21-19)17-12-13-6-1-2-7-14(13)15-8-3-4-9-16(15)17/h3-5,8-9,11-12,18H,1-2,6-7,10H2.
What are the key properties of 2-(1,2,3,4-tetrahydrophenanthren-9-yl)-2,3-dihydropyran-6-one?
2-(1,2,3,4-tetrahydrophenanthren-9-yl)-2,3-dihydropyran-6-one has a molecular weight of 278.35 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydrophenanthren-9-yl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 132607318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).