3-[1-(4-methoxyphenyl)prop-1-en-2-yl]-2H-chromene

C19H18O2 — CID 54042783

IUPAC3-[1-(4-methoxyphenyl)prop-1-en-2-yl]-2H-chromene
SMILESCOc1ccc(C=C(C)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C19H18O2/c1-14(11-15-7-9-18(20-2)10-8-15)17-12-16-5-3-4-6-19(16)21-13-17/h3-12H,13H2,1-2H3
InChIKeyLNMYZTORXXPMAE-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.57
Rot. Bonds3

About 3-[1-(4-methoxyphenyl)prop-1-en-2-yl]-2H-chromene

3-[1-(4-methoxyphenyl)prop-1-en-2-yl]-2H-chromene (PubChem CID 54042783) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)prop-1-en-2-yl]-2H-chromene.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)prop-1-en-2-yl]-2H-chromene
PubChem CID54042783
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name3-[1-(4-methoxyphenyl)prop-1-en-2-yl]-2H-chromene
SMILESCOc1ccc(C=C(C)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C19H18O2/c1-14(11-15-7-9-18(20-2)10-8-15)17-12-16-5-3-4-6-19(16)21-13-17/h3-12H,13H2,1-2H3
InChIKeyLNMYZTORXXPMAE-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)prop-1-en-2-yl]-2H-chromene?
The IUPAC name of 3-[1-(4-methoxyphenyl)prop-1-en-2-yl]-2H-chromene (CID 54042783) is 3-[1-(4-methoxyphenyl)prop-1-en-2-yl]-2H-chromene.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)prop-1-en-2-yl]-2H-chromene?
The canonical SMILES for 3-[1-(4-methoxyphenyl)prop-1-en-2-yl]-2H-chromene is COc1ccc(C=C(C)C2=Cc3ccccc3OC2)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)prop-1-en-2-yl]-2H-chromene?
The InChIKey is LNMYZTORXXPMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-14(11-15-7-9-18(20-2)10-8-15)17-12-16-5-3-4-6-19(16)21-13-17/h3-12H,13H2,1-2H3.
What are the key properties of 3-[1-(4-methoxyphenyl)prop-1-en-2-yl]-2H-chromene?
3-[1-(4-methoxyphenyl)prop-1-en-2-yl]-2H-chromene has a molecular weight of 278.35 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)prop-1-en-2-yl]-2H-chromene is sourced from PubChem (CID 54042783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).