3-phenylmethoxybenzo[c]chromen-6-one

C20H14O3 — CID 2787564

IUPAC3-phenylmethoxybenzo[c]chromen-6-one
SMILESO=c1oc2cc(OCc3ccccc3)ccc2c2ccccc12
InChIInChI=1S/C20H14O3/c21-20-18-9-5-4-8-16(18)17-11-10-15(12-19(17)23-20)22-13-14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyVABIAROAZJNLBQ-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.53
Rot. Bonds3

About 3-phenylmethoxybenzo[c]chromen-6-one

3-phenylmethoxybenzo[c]chromen-6-one (PubChem CID 2787564) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-phenylmethoxybenzo[c]chromen-6-one.

Molecular Properties

Compound Name3-phenylmethoxybenzo[c]chromen-6-one
PubChem CID2787564
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Name3-phenylmethoxybenzo[c]chromen-6-one
SMILESO=c1oc2cc(OCc3ccccc3)ccc2c2ccccc12
InChIInChI=1S/C20H14O3/c21-20-18-9-5-4-8-16(18)17-11-10-15(12-19(17)23-20)22-13-14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyVABIAROAZJNLBQ-UHFFFAOYSA-N
XLogP4.53
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-bromo-3-phenylmethoxybenzo[c]chromen-6-one
CID 164598270
3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one
CID 1121024
3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one
CID 746170
N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 171617266
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567
(3-bromo-2-oxo-7-phenylmethoxychromen-4-yl) acetate
CID 46845317
2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 782946
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
benzyl 2-(6-oxobenzo[c]chromen-3-yl)oxybutanoate
CID 23736487
3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one
CID 806874
3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one
CID 721848
3-hydroxy-7-methoxy-4-phenylmethoxychromen-2-one
CID 22402268

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxybenzo[c]chromen-6-one?
The IUPAC name of 3-phenylmethoxybenzo[c]chromen-6-one (CID 2787564) is 3-phenylmethoxybenzo[c]chromen-6-one.
What is the SMILES notation for 3-phenylmethoxybenzo[c]chromen-6-one?
The canonical SMILES for 3-phenylmethoxybenzo[c]chromen-6-one is O=c1oc2cc(OCc3ccccc3)ccc2c2ccccc12.
What is the InChIKey of 3-phenylmethoxybenzo[c]chromen-6-one?
The InChIKey is VABIAROAZJNLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3/c21-20-18-9-5-4-8-16(18)17-11-10-15(12-19(17)23-20)22-13-14-6-2-1-3-7-14/h1-12H,13H2.
What are the key properties of 3-phenylmethoxybenzo[c]chromen-6-one?
3-phenylmethoxybenzo[c]chromen-6-one has a molecular weight of 302.33 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxybenzo[c]chromen-6-one is sourced from PubChem (CID 2787564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).