6-[1-(3-ethyl-4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene

C20H24O2 — CID 145129554

IUPAC6-[1-(3-ethyl-4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene
SMILESCCc1cc(C(C)c2ccc3c(c2)CCCO3)ccc1OC
InChIInChI=1S/C20H24O2/c1-4-15-12-16(7-9-19(15)21-3)14(2)17-8-10-20-18(13-17)6-5-11-22-20/h7-10,12-14H,4-6,11H2,1-3H3
InChIKeySBPDQEVLKACQOW-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.73
Rot. Bonds4

About 6-[1-(3-ethyl-4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene

6-[1-(3-ethyl-4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene (PubChem CID 145129554) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 6-[1-(3-ethyl-4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[1-(3-ethyl-4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene
PubChem CID145129554
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name6-[1-(3-ethyl-4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene
SMILESCCc1cc(C(C)c2ccc3c(c2)CCCO3)ccc1OC
InChIInChI=1S/C20H24O2/c1-4-15-12-16(7-9-19(15)21-3)14(2)17-8-10-20-18(13-17)6-5-11-22-20/h7-10,12-14H,4-6,11H2,1-3H3
InChIKeySBPDQEVLKACQOW-UHFFFAOYSA-N
XLogP4.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 62920915
6-[(3-bromo-4-methoxyphenyl)-chloromethyl]-3,4-dihydro-2H-chromene
CID 63434925
methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483
6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61097211
6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435190
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone
CID 61027750
1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914506
2-(3,4-dihydro-2H-chromen-6-yl)propanethial
CID 123536385
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091
6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61085686
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 115482879

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-ethyl-4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[1-(3-ethyl-4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene (CID 145129554) is 6-[1-(3-ethyl-4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[1-(3-ethyl-4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[1-(3-ethyl-4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene is CCc1cc(C(C)c2ccc3c(c2)CCCO3)ccc1OC.
What is the InChIKey of 6-[1-(3-ethyl-4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene?
The InChIKey is SBPDQEVLKACQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-4-15-12-16(7-9-19(15)21-3)14(2)17-8-10-20-18(13-17)6-5-11-22-20/h7-10,12-14H,4-6,11H2,1-3H3.
What are the key properties of 6-[1-(3-ethyl-4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene?
6-[1-(3-ethyl-4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene has a molecular weight of 296.41 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-ethyl-4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 145129554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).