5-methoxy-2-(8-methyl-8-phenyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)phenol

C26H26O4 — CID 148992994

IUPAC5-methoxy-2-(8-methyl-8-phenyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)phenol
SMILESCOc1ccc(C2COc3c(ccc4c3CCC(C)(c3ccccc3)O4)C2)c(O)c1
InChIInChI=1S/C26H26O4/c1-26(19-6-4-3-5-7-19)13-12-22-24(30-26)11-8-17-14-18(16-29-25(17)22)21-10-9-20(28-2)15-23(21)27/h3-11,15,18,27H,12-14,16H2,1-2H3
InChIKeyPYBJHBDQWKEXDB-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.36
Rot. Bonds3

About 5-methoxy-2-(8-methyl-8-phenyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)phenol

5-methoxy-2-(8-methyl-8-phenyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)phenol (PubChem CID 148992994) has the molecular formula C26H26O4 and a molecular weight of 402.49 g/mol. Its IUPAC name is 5-methoxy-2-(8-methyl-8-phenyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)phenol.

Molecular Properties

Compound Name5-methoxy-2-(8-methyl-8-phenyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)phenol
PubChem CID148992994
Molecular FormulaC26H26O4
Molecular Weight402.49 g/mol
Exact Mass402.18
IUPAC Name5-methoxy-2-(8-methyl-8-phenyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)phenol
SMILESCOc1ccc(C2COc3c(ccc4c3CCC(C)(c3ccccc3)O4)C2)c(O)c1
InChIInChI=1S/C26H26O4/c1-26(19-6-4-3-5-7-19)13-12-22-24(30-26)11-8-17-14-18(16-29-25(17)22)21-10-9-20(28-2)15-23(21)27/h3-11,15,18,27H,12-14,16H2,1-2H3
InChIKeyPYBJHBDQWKEXDB-UHFFFAOYSA-N
XLogP5.36
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol
CID 152894090
2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-propylphenol
CID 91820692
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
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
4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane
CID 155725213
2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol
CID 5319689
5-ethoxy-2-(5,8,8-trimethyl-2,3,4,7,9,10-hexahydrobenzo[h]chromen-3-yl)phenol
CID 134419080
3-(3,4-dimethyl-2-nitrosophenyl)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromene
CID 134418724
4-[(3S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(3-methoxyphenyl)phenol
CID 166888963
(3S,4R)-4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 118983375
(2R,3R)-3,5-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
CID 162857768
4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol
CID 139809687

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(8-methyl-8-phenyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)phenol?
The IUPAC name of 5-methoxy-2-(8-methyl-8-phenyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)phenol (CID 148992994) is 5-methoxy-2-(8-methyl-8-phenyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)phenol.
What is the SMILES notation for 5-methoxy-2-(8-methyl-8-phenyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)phenol?
The canonical SMILES for 5-methoxy-2-(8-methyl-8-phenyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)phenol is COc1ccc(C2COc3c(ccc4c3CCC(C)(c3ccccc3)O4)C2)c(O)c1.
What is the InChIKey of 5-methoxy-2-(8-methyl-8-phenyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)phenol?
The InChIKey is PYBJHBDQWKEXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O4/c1-26(19-6-4-3-5-7-19)13-12-22-24(30-26)11-8-17-14-18(16-29-25(17)22)21-10-9-20(28-2)15-23(21)27/h3-11,15,18,27H,12-14,16H2,1-2H3.
What are the key properties of 5-methoxy-2-(8-methyl-8-phenyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)phenol?
5-methoxy-2-(8-methyl-8-phenyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)phenol has a molecular weight of 402.49 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(8-methyl-8-phenyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)phenol is sourced from PubChem (CID 148992994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).