(4S)-4-(3,4-dimethoxyphenyl)-6,8-dimethyl-3,4-dihydrochromen-2-one

C19H20O4 — CID 101014350

IUPAC(4S)-4-(3,4-dimethoxyphenyl)-6,8-dimethyl-3,4-dihydrochromen-2-one
SMILESCOc1ccc([C@@H]2CC(=O)Oc3c(C)cc(C)cc32)cc1OC
InChIInChI=1S/C19H20O4/c1-11-7-12(2)19-15(8-11)14(10-18(20)23-19)13-5-6-16(21-3)17(9-13)22-4/h5-9,14H,10H2,1-4H3/t14-/m0/s1
InChIKeyDOVYOGDSMGMZKN-AWEZNQCLSA-N
MW312.37 g/mol
LogP3.76
Rot. Bonds3

About (4S)-4-(3,4-dimethoxyphenyl)-6,8-dimethyl-3,4-dihydrochromen-2-one

(4S)-4-(3,4-dimethoxyphenyl)-6,8-dimethyl-3,4-dihydrochromen-2-one (PubChem CID 101014350) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (4S)-4-(3,4-dimethoxyphenyl)-6,8-dimethyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name(4S)-4-(3,4-dimethoxyphenyl)-6,8-dimethyl-3,4-dihydrochromen-2-one
PubChem CID101014350
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(4S)-4-(3,4-dimethoxyphenyl)-6,8-dimethyl-3,4-dihydrochromen-2-one
SMILESCOc1ccc([C@@H]2CC(=O)Oc3c(C)cc(C)cc32)cc1OC
InChIInChI=1S/C19H20O4/c1-11-7-12(2)19-15(8-11)14(10-18(20)23-19)13-5-6-16(21-3)17(9-13)22-4/h5-9,14H,10H2,1-4H3/t14-/m0/s1
InChIKeyDOVYOGDSMGMZKN-AWEZNQCLSA-N
XLogP3.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,4-dimethoxyphenyl)-6,8-dimethyl-3,4-dihydrochromen-2-one?
The IUPAC name of (4S)-4-(3,4-dimethoxyphenyl)-6,8-dimethyl-3,4-dihydrochromen-2-one (CID 101014350) is (4S)-4-(3,4-dimethoxyphenyl)-6,8-dimethyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for (4S)-4-(3,4-dimethoxyphenyl)-6,8-dimethyl-3,4-dihydrochromen-2-one?
The canonical SMILES for (4S)-4-(3,4-dimethoxyphenyl)-6,8-dimethyl-3,4-dihydrochromen-2-one is COc1ccc([C@@H]2CC(=O)Oc3c(C)cc(C)cc32)cc1OC.
What is the InChIKey of (4S)-4-(3,4-dimethoxyphenyl)-6,8-dimethyl-3,4-dihydrochromen-2-one?
The InChIKey is DOVYOGDSMGMZKN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20O4/c1-11-7-12(2)19-15(8-11)14(10-18(20)23-19)13-5-6-16(21-3)17(9-13)22-4/h5-9,14H,10H2,1-4H3/t14-/m0/s1.
What are the key properties of (4S)-4-(3,4-dimethoxyphenyl)-6,8-dimethyl-3,4-dihydrochromen-2-one?
(4S)-4-(3,4-dimethoxyphenyl)-6,8-dimethyl-3,4-dihydrochromen-2-one has a molecular weight of 312.37 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,4-dimethoxyphenyl)-6,8-dimethyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 101014350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).