(4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one

C16H14O2 — CID 804457

IUPAC(4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one
SMILESCc1cccc2c1OC(=O)C[C@@H]2c1ccccc1
InChIInChI=1S/C16H14O2/c1-11-6-5-9-13-14(10-15(17)18-16(11)13)12-7-3-2-4-8-12/h2-9,14H,10H2,1H3/t14-/m1/s1
InChIKeyDHWCYWMREWZXQR-CQSZACIVSA-N
MW238.29 g/mol
LogP3.44
Rot. Bonds1

About (4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one

(4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one (PubChem CID 804457) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name(4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one
PubChem CID804457
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one
SMILESCc1cccc2c1OC(=O)C[C@@H]2c1ccccc1
InChIInChI=1S/C16H14O2/c1-11-6-5-9-13-14(10-15(17)18-16(11)13)12-7-3-2-4-8-12/h2-9,14H,10H2,1H3/t14-/m1/s1
InChIKeyDHWCYWMREWZXQR-CQSZACIVSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one
CID 102288918
7-methyl-3-phenyl-2,3-dihydro-1-benzofuran
CID 15691552
(4S)-4-(2-methylphenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 7426431
(4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one
CID 822750
8-methoxy-4-phenyl-3,4-dihydro-1H-naphthalen-2-one
CID 56926900
7,8,10-trimethyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
CID 102552242
3-(3-methylphenyl)oxolane-2,5-dione
CID 71683747
4-methyl-10,10a-dihydro-9H-cyclohepta[b][1]benzofuran
CID 143232319
(4R)-6-methyl-4-(2-methylphenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
CID 7425774
10-phenyl-5-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),11,13-pentaen-6-one
CID 132851249
7-methyl-3-phenylsulfanyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromen-5-one
CID 102090216
(4S)-6-chloro-5-methyl-4-(2-methylphenyl)-3,4-dihydrochromen-2-one
CID 6540098

Frequently Asked Questions

What is the IUPAC name of (4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one?
The IUPAC name of (4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one (CID 804457) is (4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for (4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one?
The canonical SMILES for (4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one is Cc1cccc2c1OC(=O)C[C@@H]2c1ccccc1.
What is the InChIKey of (4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one?
The InChIKey is DHWCYWMREWZXQR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14O2/c1-11-6-5-9-13-14(10-15(17)18-16(11)13)12-7-3-2-4-8-12/h2-9,14H,10H2,1H3/t14-/m1/s1.
What are the key properties of (4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one?
(4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one has a molecular weight of 238.29 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 804457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).