8-(2-hydroxyethoxy)-3-methylbenzo[c]chromen-6-one

C16H14O4 — CID 167621734

IUPAC8-(2-hydroxyethoxy)-3-methylbenzo[c]chromen-6-one
SMILESCc1ccc2c(c1)oc(=O)c1cc(OCCO)ccc12
InChIInChI=1S/C16H14O4/c1-10-2-4-13-12-5-3-11(19-7-6-17)9-14(12)16(18)20-15(13)8-10/h2-5,8-9,17H,6-7H2,1H3
InChIKeyMCHVOEAJCXFKRE-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.63
Rot. Bonds3

About 8-(2-hydroxyethoxy)-3-methylbenzo[c]chromen-6-one

8-(2-hydroxyethoxy)-3-methylbenzo[c]chromen-6-one (PubChem CID 167621734) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 8-(2-hydroxyethoxy)-3-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name8-(2-hydroxyethoxy)-3-methylbenzo[c]chromen-6-one
PubChem CID167621734
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name8-(2-hydroxyethoxy)-3-methylbenzo[c]chromen-6-one
SMILESCc1ccc2c(c1)oc(=O)c1cc(OCCO)ccc12
InChIInChI=1S/C16H14O4/c1-10-2-4-13-12-5-3-11(19-7-6-17)9-14(12)16(18)20-15(13)8-10/h2-5,8-9,17H,6-7H2,1H3
InChIKeyMCHVOEAJCXFKRE-UHFFFAOYSA-N
XLogP2.63
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-hydroxy-3-methylbenzo[c]chromen-6-one;bis(3-hydroxy-8-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[c]chromen-6-one);2-(4-methylpiperazin-1-yl)ethanol
CID 167589114
3,8-dioctoxybenzo[c]chromen-6-one
CID 150150540
ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 4914742
4-hydroxy-7-(2-hydroxyethoxy)-3-prop-1-enoxychromen-2-one
CID 87969158
[3-(2-aminoacetyl)oxy-6-oxobenzo[c]chromen-8-yl] 2-aminoacetate
CID 122686560
3-[4-(diethylamino)butoxy]-8-methoxybenzo[c]chromen-6-one
CID 169099666
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567
9-bromo-3-methylbenzo[c]chromen-6-one
CID 167533564
3-(3,3-dimethyl-2-oxobutoxy)-8-methoxybenzo[c]chromen-6-one
CID 1332673
4-hydroxy-7-(2-hydroxyethoxy)-3-(4-methylhexyl)chromen-2-one
CID 174466577
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide
CID 175862262
2-[7-(2-hydroxyethoxy)-2-oxochromen-4-yl]acetic acid
CID 90350628

Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxyethoxy)-3-methylbenzo[c]chromen-6-one?
The IUPAC name of 8-(2-hydroxyethoxy)-3-methylbenzo[c]chromen-6-one (CID 167621734) is 8-(2-hydroxyethoxy)-3-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 8-(2-hydroxyethoxy)-3-methylbenzo[c]chromen-6-one?
The canonical SMILES for 8-(2-hydroxyethoxy)-3-methylbenzo[c]chromen-6-one is Cc1ccc2c(c1)oc(=O)c1cc(OCCO)ccc12.
What is the InChIKey of 8-(2-hydroxyethoxy)-3-methylbenzo[c]chromen-6-one?
The InChIKey is MCHVOEAJCXFKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-10-2-4-13-12-5-3-11(19-7-6-17)9-14(12)16(18)20-15(13)8-10/h2-5,8-9,17H,6-7H2,1H3.
What are the key properties of 8-(2-hydroxyethoxy)-3-methylbenzo[c]chromen-6-one?
8-(2-hydroxyethoxy)-3-methylbenzo[c]chromen-6-one has a molecular weight of 270.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxyethoxy)-3-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 167621734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).