(4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol

C21H18O4 — CID 146292723

IUPAC(4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESOc1ccc(C2COc3cc(O)ccc3[C@@H]2c2ccc(O)cc2)cc1
InChIInChI=1S/C21H18O4/c22-15-5-1-13(2-6-15)19-12-25-20-11-17(24)9-10-18(20)21(19)14-3-7-16(23)8-4-14/h1-11,19,21-24H,12H2/t19?,21-/m0/s1
InChIKeyVXHSDGZMRLGSEJ-QWAKEFERSA-N
MW334.37 g/mol
LogP4.11
Rot. Bonds2

About (4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol

(4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 146292723) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is (4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name(4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID146292723
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Name(4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESOc1ccc(C2COc3cc(O)ccc3[C@@H]2c2ccc(O)cc2)cc1
InChIInChI=1S/C21H18O4/c22-15-5-1-13(2-6-15)19-12-25-20-11-17(24)9-10-18(20)21(19)14-3-7-16(23)8-4-14/h1-11,19,21-24H,12H2/t19?,21-/m0/s1
InChIKeyVXHSDGZMRLGSEJ-QWAKEFERSA-N
XLogP4.11
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 58035760
N-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]acetamide
CID 170446132
4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol
CID 163756216
4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 170446454
3-(4-hydroxyphenyl)-4-methyl-3,4-dihydro-2H-chromen-7-ol
CID 59846967
4-[4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-3-yl]phenol
CID 134170323
(3S,4R)-3-phenyl-4-(4-piperidin-1-ylphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 157198591
(4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 166661948
3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 11372768
(3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 170044914
2-[4-[(4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy]acetaldehyde
CID 163817078
(3S,4R)-4-[4-(4-deuteriopiperazin-1-yl)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 175906738

Frequently Asked Questions

What is the IUPAC name of (4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of (4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol (CID 146292723) is (4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for (4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for (4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol is Oc1ccc(C2COc3cc(O)ccc3[C@@H]2c2ccc(O)cc2)cc1.
What is the InChIKey of (4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is VXHSDGZMRLGSEJ-QWAKEFERSA-N. The full InChI is InChI=1S/C21H18O4/c22-15-5-1-13(2-6-15)19-12-25-20-11-17(24)9-10-18(20)21(19)14-3-7-16(23)8-4-14/h1-11,19,21-24H,12H2/t19?,21-/m0/s1.
What are the key properties of (4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
(4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 334.37 g/mol, XLogP of 4.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 146292723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).