(3S)-3-(4-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one

C20H16O3 — CID 102367587

IUPAC(3S)-3-(4-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one
SMILESCOc1ccc([C@@H]2CC(=O)c3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C20H16O3/c1-22-15-9-6-14(7-10-15)19-12-17(21)20-16-5-3-2-4-13(16)8-11-18(20)23-19/h2-11,19H,12H2,1H3/t19-/m0/s1
InChIKeyMHOXVVONZXOBEG-IBGZPJMESA-N
MW304.35 g/mol
LogP4.55
Rot. Bonds2

About (3S)-3-(4-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one

(3S)-3-(4-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one (PubChem CID 102367587) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (3S)-3-(4-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one.

Molecular Properties

Compound Name(3S)-3-(4-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one
PubChem CID102367587
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name(3S)-3-(4-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one
SMILESCOc1ccc([C@@H]2CC(=O)c3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C20H16O3/c1-22-15-9-6-14(7-10-15)19-12-17(21)20-16-5-3-2-4-13(16)8-11-18(20)23-19/h2-11,19H,12H2,1H3/t19-/m0/s1
InChIKeyMHOXVVONZXOBEG-IBGZPJMESA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5,6-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163019065
3-(3-bromo-2-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one
CID 10691352
5-(4-methoxyphenyl)-5,6-dihydrothieno[3,2-b]pyran-7-one
CID 13352399
(6-hydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-5-yl) acetate
CID 86015386
5-(4-methoxyphenyl)-2-propan-2-ylideneoxolan-3-one
CID 23250319
N-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]butanamide
CID 8741427
(13R,15R)-13,15-diphenyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene
CID 11733511
(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 853029
7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 5271543
[4-[(2S,3S,7R)-4-acetyloxy-3-(2,4-diacetyloxybenzoyl)-2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydrofuro[3,2-g]chromen-7-yl]phenyl] acetate
CID 163066970
(2S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 10336604
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2917176

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one?
The IUPAC name of (3S)-3-(4-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one (CID 102367587) is (3S)-3-(4-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one.
What is the SMILES notation for (3S)-3-(4-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one?
The canonical SMILES for (3S)-3-(4-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one is COc1ccc([C@@H]2CC(=O)c3c(ccc4ccccc34)O2)cc1.
What is the InChIKey of (3S)-3-(4-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one?
The InChIKey is MHOXVVONZXOBEG-IBGZPJMESA-N. The full InChI is InChI=1S/C20H16O3/c1-22-15-9-6-14(7-10-15)19-12-17(21)20-16-5-3-2-4-13(16)8-11-18(20)23-19/h2-11,19H,12H2,1H3/t19-/m0/s1.
What are the key properties of (3S)-3-(4-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one?
(3S)-3-(4-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one has a molecular weight of 304.35 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one is sourced from PubChem (CID 102367587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).