8-(1-hydroxyethyl)-2-methoxy-3-[(4-methylphenyl)methoxy]benzo[c]chromen-6-one

C24H22O5 — CID 11999627

IUPAC8-(1-hydroxyethyl)-2-methoxy-3-[(4-methylphenyl)methoxy]benzo[c]chromen-6-one
SMILESCOc1cc2c(cc1OCc1ccc(C)cc1)oc(=O)c1cc(C(C)O)ccc12
InChIInChI=1S/C24H22O5/c1-14-4-6-16(7-5-14)13-28-23-12-21-19(11-22(23)27-3)18-9-8-17(15(2)25)10-20(18)24(26)29-21/h4-12,15,25H,13H2,1-3H3
InChIKeyOXATXGMVPZNLTM-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.90
Rot. Bonds5

About 8-(1-hydroxyethyl)-2-methoxy-3-[(4-methylphenyl)methoxy]benzo[c]chromen-6-one

8-(1-hydroxyethyl)-2-methoxy-3-[(4-methylphenyl)methoxy]benzo[c]chromen-6-one (PubChem CID 11999627) has the molecular formula C24H22O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is 8-(1-hydroxyethyl)-2-methoxy-3-[(4-methylphenyl)methoxy]benzo[c]chromen-6-one.

Molecular Properties

Compound Name8-(1-hydroxyethyl)-2-methoxy-3-[(4-methylphenyl)methoxy]benzo[c]chromen-6-one
PubChem CID11999627
Molecular FormulaC24H22O5
Molecular Weight390.44 g/mol
Exact Mass390.15
IUPAC Name8-(1-hydroxyethyl)-2-methoxy-3-[(4-methylphenyl)methoxy]benzo[c]chromen-6-one
SMILESCOc1cc2c(cc1OCc1ccc(C)cc1)oc(=O)c1cc(C(C)O)ccc12
InChIInChI=1S/C24H22O5/c1-14-4-6-16(7-5-14)13-28-23-12-21-19(11-22(23)27-3)18-9-8-17(15(2)25)10-20(18)24(26)29-21/h4-12,15,25H,13H2,1-3H3
InChIKeyOXATXGMVPZNLTM-UHFFFAOYSA-N
XLogP4.90
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-benzoylphenyl)methoxy]-8-(4-hydroxybutan-2-yl)-2-methoxybenzo[c]chromen-6-one
CID 154040845
3-ethoxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one
CID 130455889
8-(2-hydroxyethyl)-2-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 66645164
8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one
CID 11999750
1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 82089007
3-[(3,5-dimethoxyphenyl)methoxy]-8-(2-hydroxybutan-2-yl)-2-methoxybenzo[c]chromen-6-one
CID 53374452
7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one
CID 102527760
(1R)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931221
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
12-methoxy-8-methyl-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one
CID 134102350
3,4-dimethyl-6,7-bis(phenylmethoxy)chromen-2-one
CID 10810185
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567

Frequently Asked Questions

What is the IUPAC name of 8-(1-hydroxyethyl)-2-methoxy-3-[(4-methylphenyl)methoxy]benzo[c]chromen-6-one?
The IUPAC name of 8-(1-hydroxyethyl)-2-methoxy-3-[(4-methylphenyl)methoxy]benzo[c]chromen-6-one (CID 11999627) is 8-(1-hydroxyethyl)-2-methoxy-3-[(4-methylphenyl)methoxy]benzo[c]chromen-6-one.
What is the SMILES notation for 8-(1-hydroxyethyl)-2-methoxy-3-[(4-methylphenyl)methoxy]benzo[c]chromen-6-one?
The canonical SMILES for 8-(1-hydroxyethyl)-2-methoxy-3-[(4-methylphenyl)methoxy]benzo[c]chromen-6-one is COc1cc2c(cc1OCc1ccc(C)cc1)oc(=O)c1cc(C(C)O)ccc12.
What is the InChIKey of 8-(1-hydroxyethyl)-2-methoxy-3-[(4-methylphenyl)methoxy]benzo[c]chromen-6-one?
The InChIKey is OXATXGMVPZNLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O5/c1-14-4-6-16(7-5-14)13-28-23-12-21-19(11-22(23)27-3)18-9-8-17(15(2)25)10-20(18)24(26)29-21/h4-12,15,25H,13H2,1-3H3.
What are the key properties of 8-(1-hydroxyethyl)-2-methoxy-3-[(4-methylphenyl)methoxy]benzo[c]chromen-6-one?
8-(1-hydroxyethyl)-2-methoxy-3-[(4-methylphenyl)methoxy]benzo[c]chromen-6-one has a molecular weight of 390.44 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-hydroxyethyl)-2-methoxy-3-[(4-methylphenyl)methoxy]benzo[c]chromen-6-one is sourced from PubChem (CID 11999627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).