[(4aS,9aR)-9,9a-dihydro-4aH-fluoren-2-yl]-phenylmethanone

C20H16O — CID 7819581

IUPAC[(4aS,9aR)-9,9a-dihydro-4aH-fluoren-2-yl]-phenylmethanone
SMILESO=C(C1=C[C@H]2Cc3ccccc3[C@H]2C=C1)c1ccccc1
InChIInChI=1S/C20H16O/c21-20(14-6-2-1-3-7-14)16-10-11-19-17(13-16)12-15-8-4-5-9-18(15)19/h1-11,13,17,19H,12H2/t17-,19+/m1/s1
InChIKeyXNZMADWRKFHRFQ-MJGOQNOKSA-N
MW272.35 g/mol
LogP4.32
Rot. Bonds2

About [(4aS,9aR)-9,9a-dihydro-4aH-fluoren-2-yl]-phenylmethanone

[(4aS,9aR)-9,9a-dihydro-4aH-fluoren-2-yl]-phenylmethanone (PubChem CID 7819581) has the molecular formula C20H16O and a molecular weight of 272.35 g/mol. Its IUPAC name is [(4aS,9aR)-9,9a-dihydro-4aH-fluoren-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[(4aS,9aR)-9,9a-dihydro-4aH-fluoren-2-yl]-phenylmethanone
PubChem CID7819581
Molecular FormulaC20H16O
Molecular Weight272.35 g/mol
Exact Mass272.12
IUPAC Name[(4aS,9aR)-9,9a-dihydro-4aH-fluoren-2-yl]-phenylmethanone
SMILESO=C(C1=C[C@H]2Cc3ccccc3[C@H]2C=C1)c1ccccc1
InChIInChI=1S/C20H16O/c21-20(14-6-2-1-3-7-14)16-10-11-19-17(13-16)12-15-8-4-5-9-18(15)19/h1-11,13,17,19H,12H2/t17-,19+/m1/s1
InChIKeyXNZMADWRKFHRFQ-MJGOQNOKSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bicyclo[4.1.0]hepta-2,4-dienyl(phenyl)methanone
CID 143087157
9,9a-dihydro-4aH-fluoren-2-ol
CID 19692110
(1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 15696258
N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]benzamide
CID 110903499
[4-[(2-amino-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-phenylmethanone
CID 19075636
diphenylmethanone
CID 3102
[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone
CID 15420517
1-(9,9a-dihydro-4aH-fluoren-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methylheptan-1-amine
CID 89359949
diphenylmethanone;gold
CID 174931146
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
bis(diphenylmethanone);dihydrochloride
CID 69107757

Frequently Asked Questions

What is the IUPAC name of [(4aS,9aR)-9,9a-dihydro-4aH-fluoren-2-yl]-phenylmethanone?
The IUPAC name of [(4aS,9aR)-9,9a-dihydro-4aH-fluoren-2-yl]-phenylmethanone (CID 7819581) is [(4aS,9aR)-9,9a-dihydro-4aH-fluoren-2-yl]-phenylmethanone.
What is the SMILES notation for [(4aS,9aR)-9,9a-dihydro-4aH-fluoren-2-yl]-phenylmethanone?
The canonical SMILES for [(4aS,9aR)-9,9a-dihydro-4aH-fluoren-2-yl]-phenylmethanone is O=C(C1=C[C@H]2Cc3ccccc3[C@H]2C=C1)c1ccccc1.
What is the InChIKey of [(4aS,9aR)-9,9a-dihydro-4aH-fluoren-2-yl]-phenylmethanone?
The InChIKey is XNZMADWRKFHRFQ-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H16O/c21-20(14-6-2-1-3-7-14)16-10-11-19-17(13-16)12-15-8-4-5-9-18(15)19/h1-11,13,17,19H,12H2/t17-,19+/m1/s1.
What are the key properties of [(4aS,9aR)-9,9a-dihydro-4aH-fluoren-2-yl]-phenylmethanone?
[(4aS,9aR)-9,9a-dihydro-4aH-fluoren-2-yl]-phenylmethanone has a molecular weight of 272.35 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,9aR)-9,9a-dihydro-4aH-fluoren-2-yl]-phenylmethanone is sourced from PubChem (CID 7819581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).