(4R)-8-methoxy-3,3-dimethyl-4-phenyl-5,6-dihydro-4H-benzo[h]chromen-2-one

C22H22O3 — CID 7056752

IUPAC(4R)-8-methoxy-3,3-dimethyl-4-phenyl-5,6-dihydro-4H-benzo[h]chromen-2-one
SMILESCOc1ccc2c(c1)CCC1=C2OC(=O)C(C)(C)[C@@H]1c1ccccc1
InChIInChI=1S/C22H22O3/c1-22(2)19(14-7-5-4-6-8-14)18-11-9-15-13-16(24-3)10-12-17(15)20(18)25-21(22)23/h4-8,10,12-13,19H,9,11H2,1-3H3/t19-/m1/s1
InChIKeyQBBSZJMLIXHHEH-LJQANCHMSA-N
MW334.42 g/mol
LogP4.72
Rot. Bonds2

About (4R)-8-methoxy-3,3-dimethyl-4-phenyl-5,6-dihydro-4H-benzo[h]chromen-2-one

(4R)-8-methoxy-3,3-dimethyl-4-phenyl-5,6-dihydro-4H-benzo[h]chromen-2-one (PubChem CID 7056752) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (4R)-8-methoxy-3,3-dimethyl-4-phenyl-5,6-dihydro-4H-benzo[h]chromen-2-one.

Molecular Properties

Compound Name(4R)-8-methoxy-3,3-dimethyl-4-phenyl-5,6-dihydro-4H-benzo[h]chromen-2-one
PubChem CID7056752
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name(4R)-8-methoxy-3,3-dimethyl-4-phenyl-5,6-dihydro-4H-benzo[h]chromen-2-one
SMILESCOc1ccc2c(c1)CCC1=C2OC(=O)C(C)(C)[C@@H]1c1ccccc1
InChIInChI=1S/C22H22O3/c1-22(2)19(14-7-5-4-6-8-14)18-11-9-15-13-16(24-3)10-12-17(15)20(18)25-21(22)23/h4-8,10,12-13,19H,9,11H2,1-3H3/t19-/m1/s1
InChIKeyQBBSZJMLIXHHEH-LJQANCHMSA-N
XLogP4.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(4R)-4-(3-iodophenyl)-8-methoxy-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione
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6-methoxy-2-methyl-2-[(4-phenylpiperidin-1-yl)methyl]-3,4-dihydronaphthalen-1-one
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Frequently Asked Questions

What is the IUPAC name of (4R)-8-methoxy-3,3-dimethyl-4-phenyl-5,6-dihydro-4H-benzo[h]chromen-2-one?
The IUPAC name of (4R)-8-methoxy-3,3-dimethyl-4-phenyl-5,6-dihydro-4H-benzo[h]chromen-2-one (CID 7056752) is (4R)-8-methoxy-3,3-dimethyl-4-phenyl-5,6-dihydro-4H-benzo[h]chromen-2-one.
What is the SMILES notation for (4R)-8-methoxy-3,3-dimethyl-4-phenyl-5,6-dihydro-4H-benzo[h]chromen-2-one?
The canonical SMILES for (4R)-8-methoxy-3,3-dimethyl-4-phenyl-5,6-dihydro-4H-benzo[h]chromen-2-one is COc1ccc2c(c1)CCC1=C2OC(=O)C(C)(C)[C@@H]1c1ccccc1.
What is the InChIKey of (4R)-8-methoxy-3,3-dimethyl-4-phenyl-5,6-dihydro-4H-benzo[h]chromen-2-one?
The InChIKey is QBBSZJMLIXHHEH-LJQANCHMSA-N. The full InChI is InChI=1S/C22H22O3/c1-22(2)19(14-7-5-4-6-8-14)18-11-9-15-13-16(24-3)10-12-17(15)20(18)25-21(22)23/h4-8,10,12-13,19H,9,11H2,1-3H3/t19-/m1/s1.
What are the key properties of (4R)-8-methoxy-3,3-dimethyl-4-phenyl-5,6-dihydro-4H-benzo[h]chromen-2-one?
(4R)-8-methoxy-3,3-dimethyl-4-phenyl-5,6-dihydro-4H-benzo[h]chromen-2-one has a molecular weight of 334.42 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-methoxy-3,3-dimethyl-4-phenyl-5,6-dihydro-4H-benzo[h]chromen-2-one is sourced from PubChem (CID 7056752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).