4-[(3S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(3-methoxyphenyl)phenol

C24H24O4 — CID 166888963

IUPAC4-[(3S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(3-methoxyphenyl)phenol
SMILESCOc1cccc(-c2cc(O)ccc2[C@H]2COc3c(ccc(OC)c3C)C2)c1
InChIInChI=1S/C24H24O4/c1-15-23(27-3)10-7-17-11-18(14-28-24(15)17)21-9-8-19(25)13-22(21)16-5-4-6-20(12-16)26-2/h4-10,12-13,18,25H,11,14H2,1-3H3/t18-/m1/s1
InChIKeyBSGLVGVGUKZUIZ-GOSISDBHSA-N
MW376.45 g/mol
LogP5.10
Rot. Bonds4

About 4-[(3S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(3-methoxyphenyl)phenol

4-[(3S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(3-methoxyphenyl)phenol (PubChem CID 166888963) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 4-[(3S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(3-methoxyphenyl)phenol.

Molecular Properties

Compound Name4-[(3S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(3-methoxyphenyl)phenol
PubChem CID166888963
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name4-[(3S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(3-methoxyphenyl)phenol
SMILESCOc1cccc(-c2cc(O)ccc2[C@H]2COc3c(ccc(OC)c3C)C2)c1
InChIInChI=1S/C24H24O4/c1-15-23(27-3)10-7-17-11-18(14-28-24(15)17)21-9-8-19(25)13-22(21)16-5-4-6-20(12-16)26-2/h4-10,12-13,18,25H,11,14H2,1-3H3/t18-/m1/s1
InChIKeyBSGLVGVGUKZUIZ-GOSISDBHSA-N
XLogP5.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 591830
2-(3-methoxyphenyl)benzene-1,4-diol
CID 83534427
2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol
CID 5319689
7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol
CID 42604484
4-[(3R)-7,8-dimethoxy-3,4-dihydro-2H-chromen-3-yl]phenol
CID 124578570
(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
(3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol
CID 163043371
3-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,2-diol
CID 5326313
(2R,3R)-2-(4-hydroxyphenyl)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol
CID 637885
(3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 70252444
5-methoxy-2-(8-methyl-8-phenyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)phenol
CID 148992994
3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 42604621

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(3-methoxyphenyl)phenol?
The IUPAC name of 4-[(3S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(3-methoxyphenyl)phenol (CID 166888963) is 4-[(3S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(3-methoxyphenyl)phenol.
What is the SMILES notation for 4-[(3S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(3-methoxyphenyl)phenol?
The canonical SMILES for 4-[(3S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(3-methoxyphenyl)phenol is COc1cccc(-c2cc(O)ccc2[C@H]2COc3c(ccc(OC)c3C)C2)c1.
What is the InChIKey of 4-[(3S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(3-methoxyphenyl)phenol?
The InChIKey is BSGLVGVGUKZUIZ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24O4/c1-15-23(27-3)10-7-17-11-18(14-28-24(15)17)21-9-8-19(25)13-22(21)16-5-4-6-20(12-16)26-2/h4-10,12-13,18,25H,11,14H2,1-3H3/t18-/m1/s1.
What are the key properties of 4-[(3S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(3-methoxyphenyl)phenol?
4-[(3S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(3-methoxyphenyl)phenol has a molecular weight of 376.45 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(3-methoxyphenyl)phenol is sourced from PubChem (CID 166888963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).