(3R)-3-ethyl-2-(4-hydroxyphenyl)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-6-ol

C25H26O3 — CID 10270771

IUPAC(3R)-3-ethyl-2-(4-hydroxyphenyl)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-6-ol
SMILESCC[C@@H]1C(Cc2ccccc2C)c2cc(O)ccc2OC1c1ccc(O)cc1
InChIInChI=1S/C25H26O3/c1-3-21-22(14-18-7-5-4-6-16(18)2)23-15-20(27)12-13-24(23)28-25(21)17-8-10-19(26)11-9-17/h4-13,15,21-22,25-27H,3,14H2,1-2H3/t21-,22?,25?/m1/s1
InChIKeyCPLCTEXBQGIWND-PQXIJOGNSA-N
MW374.48 g/mol
LogP5.89
Rot. Bonds4

About (3R)-3-ethyl-2-(4-hydroxyphenyl)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-6-ol

(3R)-3-ethyl-2-(4-hydroxyphenyl)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-6-ol (PubChem CID 10270771) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is (3R)-3-ethyl-2-(4-hydroxyphenyl)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-6-ol.

Molecular Properties

Compound Name(3R)-3-ethyl-2-(4-hydroxyphenyl)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-6-ol
PubChem CID10270771
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Name(3R)-3-ethyl-2-(4-hydroxyphenyl)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-6-ol
SMILESCC[C@@H]1C(Cc2ccccc2C)c2cc(O)ccc2OC1c1ccc(O)cc1
InChIInChI=1S/C25H26O3/c1-3-21-22(14-18-7-5-4-6-16(18)2)23-15-20(27)12-13-24(23)28-25(21)17-8-10-19(26)11-9-17/h4-13,15,21-22,25-27H,3,14H2,1-2H3/t21-,22?,25?/m1/s1
InChIKeyCPLCTEXBQGIWND-PQXIJOGNSA-N
XLogP5.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-ethyl-2-(4-hydroxyphenyl)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-ethyl-8-[(2-fluorophenyl)methyl]-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 59498589
2-ethyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
CID 11438311
(2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
CID 11482661
6-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one
CID 82229249
(2S,3R,4S)-2-(4-hydroxy-2-methylphenyl)-4-methyl-3-propyl-3,4-dihydro-2H-chromen-6-ol
CID 71195531
(2S,3aS,4R,9bR)-2-tert-butyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
CID 11198539
(2S,3aR,4S,9bS)-4-(4-hydroxyphenyl)-2-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
CID 11473557
4-[(2S,3R)-3-(hydroxymethyl)-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 162896019
4-(4-hydroxyphenyl)-3-methyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
CID 142244951
1-[2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-one
CID 162998919
(6S,6aR,9S,10aS)-6-(4-hydroxyphenyl)-9-methyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-2-ol
CID 11483722
(2S,3S,4S)-4-ethyl-3-(4-hydroxyphenyl)-2-[4-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]phenyl]-3,4-dihydro-2H-chromen-6-ol
CID 11431419

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-2-(4-hydroxyphenyl)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-6-ol?
The IUPAC name of (3R)-3-ethyl-2-(4-hydroxyphenyl)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-6-ol (CID 10270771) is (3R)-3-ethyl-2-(4-hydroxyphenyl)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for (3R)-3-ethyl-2-(4-hydroxyphenyl)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for (3R)-3-ethyl-2-(4-hydroxyphenyl)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-6-ol is CC[C@@H]1C(Cc2ccccc2C)c2cc(O)ccc2OC1c1ccc(O)cc1.
What is the InChIKey of (3R)-3-ethyl-2-(4-hydroxyphenyl)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is CPLCTEXBQGIWND-PQXIJOGNSA-N. The full InChI is InChI=1S/C25H26O3/c1-3-21-22(14-18-7-5-4-6-16(18)2)23-15-20(27)12-13-24(23)28-25(21)17-8-10-19(26)11-9-17/h4-13,15,21-22,25-27H,3,14H2,1-2H3/t21-,22?,25?/m1/s1.
What are the key properties of (3R)-3-ethyl-2-(4-hydroxyphenyl)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-6-ol?
(3R)-3-ethyl-2-(4-hydroxyphenyl)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-6-ol has a molecular weight of 374.48 g/mol, XLogP of 5.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-2-(4-hydroxyphenyl)-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-6-ol is sourced from PubChem (CID 10270771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).