4-[(2-fluorophenyl)methoxy]-3-methoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

C21H19FO4 — CID 1242670

IUPAC4-[(2-fluorophenyl)methoxy]-3-methoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
SMILESCOc1ccc2c3c(c(=O)oc2c1OCc1ccccc1F)CCCC3
InChIInChI=1S/C21H19FO4/c1-24-18-11-10-15-14-7-3-4-8-16(14)21(23)26-19(15)20(18)25-12-13-6-2-5-9-17(13)22/h2,5-6,9-11H,3-4,7-8,12H2,1H3
InChIKeyIIMFGLZDMQGYGO-UHFFFAOYSA-N
MW354.38 g/mol
LogP4.40
Rot. Bonds4

About 4-[(2-fluorophenyl)methoxy]-3-methoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

4-[(2-fluorophenyl)methoxy]-3-methoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one (PubChem CID 1242670) has the molecular formula C21H19FO4 and a molecular weight of 354.38 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methoxy]-3-methoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methoxy]-3-methoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
PubChem CID1242670
Molecular FormulaC21H19FO4
Molecular Weight354.38 g/mol
Exact Mass354.13
IUPAC Name4-[(2-fluorophenyl)methoxy]-3-methoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
SMILESCOc1ccc2c3c(c(=O)oc2c1OCc1ccccc1F)CCCC3
InChIInChI=1S/C21H19FO4/c1-24-18-11-10-15-14-7-3-4-8-16(14)21(23)26-19(15)20(18)25-12-13-6-2-5-9-17(13)22/h2,5-6,9-11H,3-4,7-8,12H2,1H3
InChIKeyIIMFGLZDMQGYGO-UHFFFAOYSA-N
XLogP4.40
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,4-difluorophenyl)methoxy]-4-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 1307087
1-methoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one
CID 14240621
(2S)-2-[(3-methoxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)oxy]propanoic acid
CID 7346200
3-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 1332998
3-[(4-chlorophenyl)methoxy]-4-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 5224612
(2R)-2-[(3-methoxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)oxy]propanoate
CID 7346201
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 17290269
3-[(2-fluorophenyl)methyl]-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one
CID 2016090
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 2987070
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842
4-methyl-3-propan-2-yloxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 2274082
N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 834225

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methoxy]-3-methoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
The IUPAC name of 4-[(2-fluorophenyl)methoxy]-3-methoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one (CID 1242670) is 4-[(2-fluorophenyl)methoxy]-3-methoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one.
What is the SMILES notation for 4-[(2-fluorophenyl)methoxy]-3-methoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
The canonical SMILES for 4-[(2-fluorophenyl)methoxy]-3-methoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one is COc1ccc2c3c(c(=O)oc2c1OCc1ccccc1F)CCCC3.
What is the InChIKey of 4-[(2-fluorophenyl)methoxy]-3-methoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
The InChIKey is IIMFGLZDMQGYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FO4/c1-24-18-11-10-15-14-7-3-4-8-16(14)21(23)26-19(15)20(18)25-12-13-6-2-5-9-17(13)22/h2,5-6,9-11H,3-4,7-8,12H2,1H3.
What are the key properties of 4-[(2-fluorophenyl)methoxy]-3-methoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
4-[(2-fluorophenyl)methoxy]-3-methoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one has a molecular weight of 354.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methoxy]-3-methoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one is sourced from PubChem (CID 1242670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).