7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one

C29H24O6 — CID 102527760

IUPAC7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one
SMILESCOc1cc(OC)c2c(=O)oc3cc(OCc4ccccc4)c(OCc4ccccc4)cc3c2c1
InChIInChI=1S/C29H24O6/c1-31-21-13-23-22-15-25(33-17-19-9-5-3-6-10-19)26(34-18-20-11-7-4-8-12-20)16-24(22)35-29(30)28(23)27(14-21)32-2/h3-16H,17-18H2,1-2H3
InChIKeyFBADTWCPQXKBHS-UHFFFAOYSA-N
MW468.51 g/mol
LogP6.12
Rot. Bonds8

About 7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one

7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one (PubChem CID 102527760) has the molecular formula C29H24O6 and a molecular weight of 468.51 g/mol. Its IUPAC name is 7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one.

Molecular Properties

Compound Name7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one
PubChem CID102527760
Molecular FormulaC29H24O6
Molecular Weight468.51 g/mol
Exact Mass468.16
IUPAC Name7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one
SMILESCOc1cc(OC)c2c(=O)oc3cc(OCc4ccccc4)c(OCc4ccccc4)cc3c2c1
InChIInChI=1S/C29H24O6/c1-31-21-13-23-22-15-25(33-17-19-9-5-3-6-10-19)26(34-18-20-11-7-4-8-12-20)16-24(22)35-29(30)28(23)27(14-21)32-2/h3-16H,17-18H2,1-2H3
InChIKeyFBADTWCPQXKBHS-UHFFFAOYSA-N
XLogP6.12
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.51
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

3,4-dimethyl-6,7-bis(phenylmethoxy)chromen-2-one
CID 10810185
2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one
CID 126484702
3-hydroxy-7-methoxy-4-phenylmethoxychromen-2-one
CID 22402268
8-(2-hydroxyethyl)-2-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 66645164
2-(azidomethyl)-6-methoxy-7-phenylmethoxychromen-4-one
CID 126484713
6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione
CID 11185633
5,7-dimethoxy-3-phenylchromen-2-one
CID 10493138
7-hydroxy-3,4-dimethyl-6-phenylmethoxychromen-2-one
CID 10685346
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
3-hydroxy-8,10-dimethoxybenzo[c]chromen-6-one
CID 169439551
12-(3,4-dimethoxyphenyl)-8,16,17-trimethoxy-7-phenylmethoxy-4-oxa-1-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-2(11),5,7,9,12,14,16,18,20-nonaen-3-one
CID 10897402
3-[(3,5-dimethoxyphenyl)methoxy]-8-(2-hydroxybutan-2-yl)-2-methoxybenzo[c]chromen-6-one
CID 53374452

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one?
The IUPAC name of 7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one (CID 102527760) is 7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one.
What is the SMILES notation for 7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one?
The canonical SMILES for 7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one is COc1cc(OC)c2c(=O)oc3cc(OCc4ccccc4)c(OCc4ccccc4)cc3c2c1.
What is the InChIKey of 7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one?
The InChIKey is FBADTWCPQXKBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O6/c1-31-21-13-23-22-15-25(33-17-19-9-5-3-6-10-19)26(34-18-20-11-7-4-8-12-20)16-24(22)35-29(30)28(23)27(14-21)32-2/h3-16H,17-18H2,1-2H3.
What are the key properties of 7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one?
7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one has a molecular weight of 468.51 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one is sourced from PubChem (CID 102527760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).