7-methoxy-2,2-dimethyl-5-(2-phenylethyl)chromene

C20H22O2 — CID 14805899

IUPAC7-methoxy-2,2-dimethyl-5-(2-phenylethyl)chromene
SMILESCOc1cc(CCc2ccccc2)c2c(c1)OC(C)(C)C=C2
InChIInChI=1S/C20H22O2/c1-20(2)12-11-18-16(10-9-15-7-5-4-6-8-15)13-17(21-3)14-19(18)22-20/h4-8,11-14H,9-10H2,1-3H3
InChIKeyIUHDENXOKGVIEN-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.66
Rot. Bonds4

About 7-methoxy-2,2-dimethyl-5-(2-phenylethyl)chromene

7-methoxy-2,2-dimethyl-5-(2-phenylethyl)chromene (PubChem CID 14805899) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 7-methoxy-2,2-dimethyl-5-(2-phenylethyl)chromene.

Molecular Properties

Compound Name7-methoxy-2,2-dimethyl-5-(2-phenylethyl)chromene
PubChem CID14805899
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name7-methoxy-2,2-dimethyl-5-(2-phenylethyl)chromene
SMILESCOc1cc(CCc2ccccc2)c2c(c1)OC(C)(C)C=C2
InChIInChI=1S/C20H22O2/c1-20(2)12-11-18-16(10-9-15-7-5-4-6-8-15)13-17(21-3)14-19(18)22-20/h4-8,11-14H,9-10H2,1-3H3
InChIKeyIUHDENXOKGVIEN-UHFFFAOYSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-methyl-7-(2-phenylethyl)chromen-5-ol
CID 169149697
1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
1-[2-(2,2-dimethyl-5-pentylchromen-7-yl)oxyethyl]pyrrolidine;oxalic acid
CID 21152127
7-(4-methoxyphenyl)-2,2-dimethylpyrano[4,3-b]pyran-5-one
CID 11087308
N-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
CID 146255660
3-(2-benzyl-4-ethoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene
CID 161405834
(2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 132988935
2-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-5-(2-phenylethyl)benzene-1,3-diol
CID 163031437
1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone
CID 66573258
2,2-dimethylbenzo[g]chromene
CID 1218933
N-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride
CID 46918543
1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-6-yl)-3-phenylprop-2-en-1-one
CID 73195975

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2-dimethyl-5-(2-phenylethyl)chromene?
The IUPAC name of 7-methoxy-2,2-dimethyl-5-(2-phenylethyl)chromene (CID 14805899) is 7-methoxy-2,2-dimethyl-5-(2-phenylethyl)chromene.
What is the SMILES notation for 7-methoxy-2,2-dimethyl-5-(2-phenylethyl)chromene?
The canonical SMILES for 7-methoxy-2,2-dimethyl-5-(2-phenylethyl)chromene is COc1cc(CCc2ccccc2)c2c(c1)OC(C)(C)C=C2.
What is the InChIKey of 7-methoxy-2,2-dimethyl-5-(2-phenylethyl)chromene?
The InChIKey is IUHDENXOKGVIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-20(2)12-11-18-16(10-9-15-7-5-4-6-8-15)13-17(21-3)14-19(18)22-20/h4-8,11-14H,9-10H2,1-3H3.
What are the key properties of 7-methoxy-2,2-dimethyl-5-(2-phenylethyl)chromene?
7-methoxy-2,2-dimethyl-5-(2-phenylethyl)chromene has a molecular weight of 294.39 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2-dimethyl-5-(2-phenylethyl)chromene is sourced from PubChem (CID 14805899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).