4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol

C22H26O4 — CID 152894090

IUPAC4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol
SMILESCOc1c(C2COc3c(ccc4c3CCC(C)(C)O4)C2)ccc(O)c1C
InChIInChI=1S/C22H26O4/c1-13-18(23)7-6-16(20(13)24-4)15-11-14-5-8-19-17(21(14)25-12-15)9-10-22(2,3)26-19/h5-8,15,23H,9-12H2,1-4H3
InChIKeyUEAAMCDVJYGGNM-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.53
Rot. Bonds2

About 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol

4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol (PubChem CID 152894090) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol.

Molecular Properties

Compound Name4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol
PubChem CID152894090
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol
SMILESCOc1c(C2COc3c(ccc4c3CCC(C)(C)O4)C2)ccc(O)c1C
InChIInChI=1S/C22H26O4/c1-13-18(23)7-6-16(20(13)24-4)15-11-14-5-8-19-17(21(14)25-12-15)9-10-22(2,3)26-19/h5-8,15,23H,9-12H2,1-4H3
InChIKeyUEAAMCDVJYGGNM-UHFFFAOYSA-N
XLogP4.53
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol with MolForge

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Related Compounds

2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-propylphenol
CID 91820692
3-(3,4-dimethyl-2-nitrosophenyl)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromene
CID 134418724
2-[(3R)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-methylphenol;5-ethoxy-2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]phenol;2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-propoxyphenol
CID 158404911
5-methoxy-2-(8-methyl-8-phenyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)phenol
CID 148992994
2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethoxyphenol;4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-ethoxyphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethylphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylphenol
CID 167702494
3-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,2-diol
CID 5326313
(3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol
CID 163043371
(3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 70252444
2-(3,3-dimethyl-1,2,7,8,9,10-hexahydrobenzo[f]chromen-8-yl)-5-methylbenzonitrile
CID 137445709
5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol
CID 101113077
6-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-pentoxycyclohexa-1,3-dien-1-ol
CID 163653111
4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane
CID 155725213

Frequently Asked Questions

What is the IUPAC name of 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol?
The IUPAC name of 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol (CID 152894090) is 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol.
What is the SMILES notation for 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol?
The canonical SMILES for 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol is COc1c(C2COc3c(ccc4c3CCC(C)(C)O4)C2)ccc(O)c1C.
What is the InChIKey of 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol?
The InChIKey is UEAAMCDVJYGGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O4/c1-13-18(23)7-6-16(20(13)24-4)15-11-14-5-8-19-17(21(14)25-12-15)9-10-22(2,3)26-19/h5-8,15,23H,9-12H2,1-4H3.
What are the key properties of 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol?
4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol has a molecular weight of 354.45 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol is sourced from PubChem (CID 152894090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).