4-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)benzene-1,2-diol

C16H16O4 — CID 14157885

IUPAC4-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)benzene-1,2-diol
SMILESCOc1ccc2c(c1)OC(c1ccc(O)c(O)c1)CC2
InChIInChI=1S/C16H16O4/c1-19-12-5-2-10-4-7-15(20-16(10)9-12)11-3-6-13(17)14(18)8-11/h2-3,5-6,8-9,15,17-18H,4,7H2,1H3
InChIKeyRFPAIRSYRWTZLD-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.17
Rot. Bonds2

About 4-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)benzene-1,2-diol

4-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)benzene-1,2-diol (PubChem CID 14157885) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)benzene-1,2-diol
PubChem CID14157885
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name4-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)benzene-1,2-diol
SMILESCOc1ccc2c(c1)OC(c1ccc(O)c(O)c1)CC2
InChIInChI=1S/C16H16O4/c1-19-12-5-2-10-4-7-15(20-16(10)9-12)11-3-6-13(17)14(18)8-11/h2-3,5-6,8-9,15,17-18H,4,7H2,1H3
InChIKeyRFPAIRSYRWTZLD-UHFFFAOYSA-N
XLogP3.17
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(6-methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)benzene-1,2-diol
CID 90677223
4-[(4Z)-4-hydroxyimino-7-methoxy-2,3-dihydrochromen-2-yl]benzene-1,2-diol
CID 118728479
2,7-dimethoxy-3,4-dihydro-2H-chromene
CID 14415640
2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
CID 25232840
[(2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate
CID 162662101
N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-2-amine
CID 70260790
methyl 2-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]butanoate
CID 141408566
(4R)-2-(3-chloro-4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948581
(2R)-2-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 102145698
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene
CID 13045742
methyl 3-[2-(3-formyl-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate
CID 145016023
methyl (2S,3R)-3-[(2S)-2-(3-formyl-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl]-3-hydroxy-2-methylpropanoate
CID 118899840

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)benzene-1,2-diol?
The IUPAC name of 4-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)benzene-1,2-diol (CID 14157885) is 4-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)benzene-1,2-diol?
The canonical SMILES for 4-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)benzene-1,2-diol is COc1ccc2c(c1)OC(c1ccc(O)c(O)c1)CC2.
What is the InChIKey of 4-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)benzene-1,2-diol?
The InChIKey is RFPAIRSYRWTZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-12-5-2-10-4-7-15(20-16(10)9-12)11-3-6-13(17)14(18)8-11/h2-3,5-6,8-9,15,17-18H,4,7H2,1H3.
What are the key properties of 4-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)benzene-1,2-diol?
4-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)benzene-1,2-diol has a molecular weight of 272.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)benzene-1,2-diol is sourced from PubChem (CID 14157885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).