2-[2-(4-methoxyphenyl)ethyl]-2H-chromene

C18H18O2 — CID 86103229

IUPAC2-[2-(4-methoxyphenyl)ethyl]-2H-chromene
SMILESCOc1ccc(CCC2C=Cc3ccccc3O2)cc1
InChIInChI=1S/C18H18O2/c1-19-16-10-6-14(7-11-16)8-12-17-13-9-15-4-2-3-5-18(15)20-17/h2-7,9-11,13,17H,8,12H2,1H3
InChIKeyAHXSEJLIAVQFFZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.10
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)ethyl]-2H-chromene

2-[2-(4-methoxyphenyl)ethyl]-2H-chromene (PubChem CID 86103229) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl]-2H-chromene.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethyl]-2H-chromene
PubChem CID86103229
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-[2-(4-methoxyphenyl)ethyl]-2H-chromene
SMILESCOc1ccc(CCC2C=Cc3ccccc3O2)cc1
InChIInChI=1S/C18H18O2/c1-19-16-10-6-14(7-11-16)8-12-17-13-9-15-4-2-3-5-18(15)20-17/h2-7,9-11,13,17H,8,12H2,1H3
InChIKeyAHXSEJLIAVQFFZ-UHFFFAOYSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole
CID 65447093
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
[4-[2-(4-methoxyphenyl)ethyl]cyclohexyl]-diphenylmethanol
CID 118329138
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
2H-chromene-2-thiol
CID 154323304
(2R)-2-naphthalen-2-yl-2H-chromene
CID 102138698
4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 106779335
(4R)-4-[2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-one
CID 163035712
6-(4-methoxyphenyl)-6H-benzo[c]chromene
CID 86088499
2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
CID 44537911
(2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol
CID 122367194
(2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane
CID 162820309

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-2H-chromene?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-2H-chromene (CID 86103229) is 2-[2-(4-methoxyphenyl)ethyl]-2H-chromene.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl]-2H-chromene?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl]-2H-chromene is COc1ccc(CCC2C=Cc3ccccc3O2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl]-2H-chromene?
The InChIKey is AHXSEJLIAVQFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-19-16-10-6-14(7-11-16)8-12-17-13-9-15-4-2-3-5-18(15)20-17/h2-7,9-11,13,17H,8,12H2,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethyl]-2H-chromene?
2-[2-(4-methoxyphenyl)ethyl]-2H-chromene has a molecular weight of 266.34 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethyl]-2H-chromene is sourced from PubChem (CID 86103229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).