(7S,7aR)-7-cyclopropyl-4,5-dimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one

C18H20O3 — CID 11277585

IUPAC(7S,7aR)-7-cyclopropyl-4,5-dimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one
SMILESCC1O[C@@H](C2CC2)[C@@H]2OC(=O)C(c3ccccc3)=C2C1C
InChIInChI=1S/C18H20O3/c1-10-11(2)20-16(13-8-9-13)17-14(10)15(18(19)21-17)12-6-4-3-5-7-12/h3-7,10-11,13,16-17H,8-9H2,1-2H3/t10?,11?,16-,17+/m0/s1
InChIKeyICQDBVQPGOCDLM-JRIFGSMTSA-N
MW284.36 g/mol
LogP3.20
Rot. Bonds2

About (7S,7aR)-7-cyclopropyl-4,5-dimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one

(7S,7aR)-7-cyclopropyl-4,5-dimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one (PubChem CID 11277585) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (7S,7aR)-7-cyclopropyl-4,5-dimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one.

Molecular Properties

Compound Name(7S,7aR)-7-cyclopropyl-4,5-dimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one
PubChem CID11277585
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(7S,7aR)-7-cyclopropyl-4,5-dimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one
SMILESCC1O[C@@H](C2CC2)[C@@H]2OC(=O)C(c3ccccc3)=C2C1C
InChIInChI=1S/C18H20O3/c1-10-11(2)20-16(13-8-9-13)17-14(10)15(18(19)21-17)12-6-4-3-5-7-12/h3-7,10-11,13,16-17H,8-9H2,1-2H3/t10?,11?,16-,17+/m0/s1
InChIKeyICQDBVQPGOCDLM-JRIFGSMTSA-N
XLogP3.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7S,7aR)-7-cyclopropyl-4,5-dimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one with MolForge

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Related Compounds

(7S,7aR)-4,5,7-trimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one
CID 11391256
(6S,6aR)-6-methyl-3-phenyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one
CID 102588532
3-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one
CID 86097455
2-methoxy-3,4-diphenyl-2H-furan-5-one
CID 12691708
1,1'-biphenyl;2-chloro-3-methyloxirane
CID 174592188
3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione
CID 110559456
disodium;bis(acetonitrile);bis((3S,6R,9S,12R,15S,18R)-3,6,9,12,15,18-hexamethyl-1,4,7,10,13,16-hexaoxacyclooctadecane-2,5,8,11,14,17-hexone);bis(tetraphenylboranuide)
CID 139152044
4-hydroxy-2-methyl-3-phenyl-2H-furan-5-one
CID 13439272
(4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
CID 142808769
ethane;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
CID 91380826
1,1'-biphenyl;2-methyloxirane
CID 87315109
3-methyl-4-phenyl-2H-furan-5-one
CID 576159

Frequently Asked Questions

What is the IUPAC name of (7S,7aR)-7-cyclopropyl-4,5-dimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one?
The IUPAC name of (7S,7aR)-7-cyclopropyl-4,5-dimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one (CID 11277585) is (7S,7aR)-7-cyclopropyl-4,5-dimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one.
What is the SMILES notation for (7S,7aR)-7-cyclopropyl-4,5-dimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one?
The canonical SMILES for (7S,7aR)-7-cyclopropyl-4,5-dimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one is CC1O[C@@H](C2CC2)[C@@H]2OC(=O)C(c3ccccc3)=C2C1C.
What is the InChIKey of (7S,7aR)-7-cyclopropyl-4,5-dimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one?
The InChIKey is ICQDBVQPGOCDLM-JRIFGSMTSA-N. The full InChI is InChI=1S/C18H20O3/c1-10-11(2)20-16(13-8-9-13)17-14(10)15(18(19)21-17)12-6-4-3-5-7-12/h3-7,10-11,13,16-17H,8-9H2,1-2H3/t10?,11?,16-,17+/m0/s1.
What are the key properties of (7S,7aR)-7-cyclopropyl-4,5-dimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one?
(7S,7aR)-7-cyclopropyl-4,5-dimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one has a molecular weight of 284.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,7aR)-7-cyclopropyl-4,5-dimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one is sourced from PubChem (CID 11277585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).