(1a-phenyl-7,7a-dihydro-1H-cyclopropa[b]chromen-7-yl) acetate

C18H16O3 — CID 11312023

IUPAC(1a-phenyl-7,7a-dihydro-1H-cyclopropa[b]chromen-7-yl) acetate
SMILESCC(=O)OC1c2ccccc2OC2(c3ccccc3)CC12
InChIInChI=1S/C18H16O3/c1-12(19)20-17-14-9-5-6-10-16(14)21-18(11-15(17)18)13-7-3-2-4-8-13/h2-10,15,17H,11H2,1H3
InChIKeyMCNCSQPPMOKGND-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.60
Rot. Bonds2

About (1a-phenyl-7,7a-dihydro-1H-cyclopropa[b]chromen-7-yl) acetate

(1a-phenyl-7,7a-dihydro-1H-cyclopropa[b]chromen-7-yl) acetate (PubChem CID 11312023) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is (1a-phenyl-7,7a-dihydro-1H-cyclopropa[b]chromen-7-yl) acetate.

Molecular Properties

Compound Name(1a-phenyl-7,7a-dihydro-1H-cyclopropa[b]chromen-7-yl) acetate
PubChem CID11312023
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name(1a-phenyl-7,7a-dihydro-1H-cyclopropa[b]chromen-7-yl) acetate
SMILESCC(=O)OC1c2ccccc2OC2(c3ccccc3)CC12
InChIInChI=1S/C18H16O3/c1-12(19)20-17-14-9-5-6-10-16(14)21-18(11-15(17)18)13-7-3-2-4-8-13/h2-10,15,17H,11H2,1H3
InChIKeyMCNCSQPPMOKGND-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1aR,7S,7aR)-1a,7-diphenyl-7,7a-dihydro-1H-cyclopropa[b]chromene
CID 11892906
(3-acetyloxy-2-oxo-3-phenyl-4H-chromen-4-yl) acetate
CID 70111387
2-(7-methyl-7,7a-dihydro-1H-cyclopropa[b]chromen-1a-yl)phenol
CID 20782807
2,2-diphenyl-3,4-dihydrochromen-4-ol
CID 56694912
[(3S,4S)-1-oxo-3-phenyl-3,4-dihydroisochromen-4-yl] acetate
CID 57331974
[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl] acetate
CID 12616569
methyl 2,2-diphenyl-2aH-oxeto[2,3-b][1]benzofuran-7a-carboxylate
CID 91726916
(1R,9S,12S)-10-methyl-11-oxo-9-phenyl-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxylic acid
CID 99643225
10-methyl-11-oxo-9-phenyl-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxylic acid
CID 3586768
(3-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl) carbamate
CID 154161805
[(2R,3R)-2,6-dimethoxy-4-oxo-2-phenyl-3H-chromen-3-yl] acetate
CID 25016928
[(1R,2S)-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl] acetate
CID 56958393

Frequently Asked Questions

What is the IUPAC name of (1a-phenyl-7,7a-dihydro-1H-cyclopropa[b]chromen-7-yl) acetate?
The IUPAC name of (1a-phenyl-7,7a-dihydro-1H-cyclopropa[b]chromen-7-yl) acetate (CID 11312023) is (1a-phenyl-7,7a-dihydro-1H-cyclopropa[b]chromen-7-yl) acetate.
What is the SMILES notation for (1a-phenyl-7,7a-dihydro-1H-cyclopropa[b]chromen-7-yl) acetate?
The canonical SMILES for (1a-phenyl-7,7a-dihydro-1H-cyclopropa[b]chromen-7-yl) acetate is CC(=O)OC1c2ccccc2OC2(c3ccccc3)CC12.
What is the InChIKey of (1a-phenyl-7,7a-dihydro-1H-cyclopropa[b]chromen-7-yl) acetate?
The InChIKey is MCNCSQPPMOKGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-12(19)20-17-14-9-5-6-10-16(14)21-18(11-15(17)18)13-7-3-2-4-8-13/h2-10,15,17H,11H2,1H3.
What are the key properties of (1a-phenyl-7,7a-dihydro-1H-cyclopropa[b]chromen-7-yl) acetate?
(1a-phenyl-7,7a-dihydro-1H-cyclopropa[b]chromen-7-yl) acetate has a molecular weight of 280.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1a-phenyl-7,7a-dihydro-1H-cyclopropa[b]chromen-7-yl) acetate is sourced from PubChem (CID 11312023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).