(3R)-3-(10-oxo-9H-anthracen-9-yl)pentanal

C19H18O2 — CID 101465535

IUPAC(3R)-3-(10-oxo-9H-anthracen-9-yl)pentanal
SMILESCC[C@H](CC=O)C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C19H18O2/c1-2-13(11-12-20)18-14-7-3-5-9-16(14)19(21)17-10-6-4-8-15(17)18/h3-10,12-13,18H,2,11H2,1H3/t13-/m1/s1
InChIKeyZHBODSFVZIZWRX-CYBMUJFWSA-N
MW278.35 g/mol
LogP3.98
Rot. Bonds4

About (3R)-3-(10-oxo-9H-anthracen-9-yl)pentanal

(3R)-3-(10-oxo-9H-anthracen-9-yl)pentanal (PubChem CID 101465535) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3R)-3-(10-oxo-9H-anthracen-9-yl)pentanal.

Molecular Properties

Compound Name(3R)-3-(10-oxo-9H-anthracen-9-yl)pentanal
PubChem CID101465535
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(3R)-3-(10-oxo-9H-anthracen-9-yl)pentanal
SMILESCC[C@H](CC=O)C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C19H18O2/c1-2-13(11-12-20)18-14-7-3-5-9-16(14)19(21)17-10-6-4-8-15(17)18/h3-10,12-13,18H,2,11H2,1H3/t13-/m1/s1
InChIKeyZHBODSFVZIZWRX-CYBMUJFWSA-N
XLogP3.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(1,3-dioxoinden-2-yl)-4-fluorobutanal
CID 59781122
anthracene-9,10-dione;propane
CID 162068050
10-ethoxy-10H-anthracen-9-one
CID 163685880
10-[(1S)-3-oxo-1-phenylpentyl]-10H-anthracen-9-one
CID 46862210
1-(9H-fluoren-9-yl)propan-1-amine
CID 79308072
10-[1-(2-methylphenyl)prop-2-ynyl]-10H-anthracen-9-one
CID 175146212
9-[2-(1-hex-5-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene
CID 54177518
tris(fluoren-9-one);methane;methanol;propane
CID 158940113
10-(1-hydroxy-2-oxo-2-phenylethyl)-10H-anthracen-9-one
CID 25233409
2-(3-methyl-1,4-dioxonaphthalen-2-yl)acetaldehyde
CID 134866818
lithium;anthracene-9,10-dione;hydride
CID 174683199
CID 66807709
CID 66807709

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(10-oxo-9H-anthracen-9-yl)pentanal?
The IUPAC name of (3R)-3-(10-oxo-9H-anthracen-9-yl)pentanal (CID 101465535) is (3R)-3-(10-oxo-9H-anthracen-9-yl)pentanal.
What is the SMILES notation for (3R)-3-(10-oxo-9H-anthracen-9-yl)pentanal?
The canonical SMILES for (3R)-3-(10-oxo-9H-anthracen-9-yl)pentanal is CC[C@H](CC=O)C1c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of (3R)-3-(10-oxo-9H-anthracen-9-yl)pentanal?
The InChIKey is ZHBODSFVZIZWRX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18O2/c1-2-13(11-12-20)18-14-7-3-5-9-16(14)19(21)17-10-6-4-8-15(17)18/h3-10,12-13,18H,2,11H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-3-(10-oxo-9H-anthracen-9-yl)pentanal?
(3R)-3-(10-oxo-9H-anthracen-9-yl)pentanal has a molecular weight of 278.35 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(10-oxo-9H-anthracen-9-yl)pentanal is sourced from PubChem (CID 101465535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).