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

C23H22O3 — CID 134170323

IUPAC4-[4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-3-yl]phenol
SMILESCOc1ccc(C2c3ccc(C)cc3OCC2c2ccc(O)cc2)cc1
InChIInChI=1S/C23H22O3/c1-15-3-12-20-22(13-15)26-14-21(16-4-8-18(24)9-5-16)23(20)17-6-10-19(25-2)11-7-17/h3-13,21,23-24H,14H2,1-2H3
InChIKeyINYSWQDVTXVSCI-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.02
Rot. Bonds3

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

4-[4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-3-yl]phenol (PubChem CID 134170323) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-3-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-3-yl]phenol
PubChem CID134170323
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name4-[4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-3-yl]phenol
SMILESCOc1ccc(C2c3ccc(C)cc3OCC2c2ccc(O)cc2)cc1
InChIInChI=1S/C23H22O3/c1-15-3-12-20-22(13-15)26-14-21(16-4-8-18(24)9-5-16)23(20)17-6-10-19(25-2)11-7-17/h3-13,21,23-24H,14H2,1-2H3
InChIKeyINYSWQDVTXVSCI-UHFFFAOYSA-N
XLogP5.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol
CID 163756216
3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2H-chromen-7-ol;4-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 158379038
(4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 146292723
3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 11372768
(4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 166661948
(3R,4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(3,4-dimethylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
CID 158587612
4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol
CID 18355593
4-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
CID 20703979
3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 11405317
(3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 170044914
4-[7-methyl-3-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]aniline
CID 170611167
N-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]acetamide
CID 170446132

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-3-yl]phenol?
The IUPAC name of 4-[4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-3-yl]phenol (CID 134170323) is 4-[4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-3-yl]phenol.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-3-yl]phenol?
The canonical SMILES for 4-[4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-3-yl]phenol is COc1ccc(C2c3ccc(C)cc3OCC2c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-3-yl]phenol?
The InChIKey is INYSWQDVTXVSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3/c1-15-3-12-20-22(13-15)26-14-21(16-4-8-18(24)9-5-16)23(20)17-6-10-19(25-2)11-7-17/h3-13,21,23-24H,14H2,1-2H3.
What are the key properties of 4-[4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-3-yl]phenol?
4-[4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-3-yl]phenol has a molecular weight of 346.43 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-3-yl]phenol is sourced from PubChem (CID 134170323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).