(2R)-2-[(2R)-2-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl]-2-phenylacetaldehyde

C19H18O3 — CID 139123701

IUPAC(2R)-2-[(2R)-2-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl]-2-phenylacetaldehyde
SMILESCO[C@@]1([C@H](C=O)c2ccccc2)CCc2ccccc2C1=O
InChIInChI=1S/C19H18O3/c1-22-19(17(13-20)15-8-3-2-4-9-15)12-11-14-7-5-6-10-16(14)18(19)21/h2-10,13,17H,11-12H2,1H3/t17-,19-/m1/s1
InChIKeyBBYGWMFJWKXRTL-IEBWSBKVSA-N
MW294.35 g/mol
LogP3.18
Rot. Bonds4

About (2R)-2-[(2R)-2-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl]-2-phenylacetaldehyde

(2R)-2-[(2R)-2-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl]-2-phenylacetaldehyde (PubChem CID 139123701) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2R)-2-[(2R)-2-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl]-2-phenylacetaldehyde.

Molecular Properties

Compound Name(2R)-2-[(2R)-2-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl]-2-phenylacetaldehyde
PubChem CID139123701
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(2R)-2-[(2R)-2-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl]-2-phenylacetaldehyde
SMILESCO[C@@]1([C@H](C=O)c2ccccc2)CCc2ccccc2C1=O
InChIInChI=1S/C19H18O3/c1-22-19(17(13-20)15-8-3-2-4-9-15)12-11-14-7-5-6-10-16(14)18(19)21/h2-10,13,17H,11-12H2,1H3/t17-,19-/m1/s1
InChIKeyBBYGWMFJWKXRTL-IEBWSBKVSA-N
XLogP3.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-Epoxyphylloquinone
CID 5460204
Vitamin K1 2,3-epoxide
CID 91577
(2,3-Epoxyphytyl)menaquinone
CID 5280845
2,3-Epoxy-2-methyl-1,4-naphthoquinone
CID 85845
Phytonadione epoxide, (E,2S,3R)-
CID 90479364
Menatetrenone Epoxide
CID 10434409
Naphtho[2,3-b]furan-4,9-dione, 2-acetyl-3a,9a-dihydro-
CID 91971765
1a-(3-methylbut-2-enyl)naphtho[2,3-b]oxirene-2,7(1aH,7aH)-dione
CID 44576050
3-Pentyloxy-4-phenyl-[1,2]naphthoquinone
CID 44301018
(1aS,7aR)-1a-(3-methylbut-2-enyl)-7aH-naphtho[2,3-b]oxirene-2,7-dione
CID 70691962
3-Hydroxy-2-methyl-3-phytyl-2,3-dihydro-1,4-naphthoquinone
CID 5280540
Vitamin K2 2,3-epoxide
CID 71448979

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-2-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl]-2-phenylacetaldehyde?
The IUPAC name of (2R)-2-[(2R)-2-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl]-2-phenylacetaldehyde (CID 139123701) is (2R)-2-[(2R)-2-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl]-2-phenylacetaldehyde.
What is the SMILES notation for (2R)-2-[(2R)-2-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl]-2-phenylacetaldehyde?
The canonical SMILES for (2R)-2-[(2R)-2-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl]-2-phenylacetaldehyde is CO[C@@]1([C@H](C=O)c2ccccc2)CCc2ccccc2C1=O.
What is the InChIKey of (2R)-2-[(2R)-2-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl]-2-phenylacetaldehyde?
The InChIKey is BBYGWMFJWKXRTL-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H18O3/c1-22-19(17(13-20)15-8-3-2-4-9-15)12-11-14-7-5-6-10-16(14)18(19)21/h2-10,13,17H,11-12H2,1H3/t17-,19-/m1/s1.
What are the key properties of (2R)-2-[(2R)-2-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl]-2-phenylacetaldehyde?
(2R)-2-[(2R)-2-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl]-2-phenylacetaldehyde has a molecular weight of 294.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-2-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl]-2-phenylacetaldehyde is sourced from PubChem (CID 139123701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).