5-methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol

C17H18O4 — CID 591624

IUPAC5-methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol
SMILESCOc1ccc(C2COc3cc(OC)ccc3C2)c(O)c1
InChIInChI=1S/C17H18O4/c1-19-13-5-6-15(16(18)8-13)12-7-11-3-4-14(20-2)9-17(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3
InChIKeyFWAWTPASGRNXTO-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.13
Rot. Bonds3

About 5-methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol

5-methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol (PubChem CID 591624) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol.

Molecular Properties

Compound Name5-methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol
PubChem CID591624
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name5-methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol
SMILESCOc1ccc(C2COc3cc(OC)ccc3C2)c(O)c1
InChIInChI=1S/C17H18O4/c1-19-13-5-6-15(16(18)8-13)12-7-11-3-4-14(20-2)9-17(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3
InChIKeyFWAWTPASGRNXTO-UHFFFAOYSA-N
XLogP3.13
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol?
The IUPAC name of 5-methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol (CID 591624) is 5-methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol.
What is the SMILES notation for 5-methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol?
The canonical SMILES for 5-methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol is COc1ccc(C2COc3cc(OC)ccc3C2)c(O)c1.
What is the InChIKey of 5-methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol?
The InChIKey is FWAWTPASGRNXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-19-13-5-6-15(16(18)8-13)12-7-11-3-4-14(20-2)9-17(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3.
What are the key properties of 5-methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol?
5-methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol has a molecular weight of 286.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol is sourced from PubChem (CID 591624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).