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

C16H16O3 — CID 59846967

IUPAC3-(4-hydroxyphenyl)-4-methyl-3,4-dihydro-2H-chromen-7-ol
SMILESCC1c2ccc(O)cc2OCC1c1ccc(O)cc1
InChIInChI=1S/C16H16O3/c1-10-14-7-6-13(18)8-16(14)19-9-15(10)11-2-4-12(17)5-3-11/h2-8,10,15,17-18H,9H2,1H3
InChIKeyQQNZNYPNACUQKH-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.38
Rot. Bonds1

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

3-(4-hydroxyphenyl)-4-methyl-3,4-dihydro-2H-chromen-7-ol (PubChem CID 59846967) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-4-methyl-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-4-methyl-3,4-dihydro-2H-chromen-7-ol
PubChem CID59846967
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-(4-hydroxyphenyl)-4-methyl-3,4-dihydro-2H-chromen-7-ol
SMILESCC1c2ccc(O)cc2OCC1c1ccc(O)cc1
InChIInChI=1S/C16H16O3/c1-10-14-7-6-13(18)8-16(14)19-9-15(10)11-2-4-12(17)5-3-11/h2-8,10,15,17-18H,9H2,1H3
InChIKeyQQNZNYPNACUQKH-UHFFFAOYSA-N
XLogP3.38
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 146292723
N-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]acetamide
CID 170446132
4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 58035760
4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol
CID 163756216
(3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 170044914
4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 170446454
(4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 166661948
4-[4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-3-yl]phenol
CID 134170323
3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 11372768
3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82976511
(3S,4R)-3-phenyl-4-(4-piperidin-1-ylphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 157198591
3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 11405317

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-4-methyl-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 3-(4-hydroxyphenyl)-4-methyl-3,4-dihydro-2H-chromen-7-ol (CID 59846967) is 3-(4-hydroxyphenyl)-4-methyl-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 3-(4-hydroxyphenyl)-4-methyl-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 3-(4-hydroxyphenyl)-4-methyl-3,4-dihydro-2H-chromen-7-ol is CC1c2ccc(O)cc2OCC1c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-4-methyl-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is QQNZNYPNACUQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-10-14-7-6-13(18)8-16(14)19-9-15(10)11-2-4-12(17)5-3-11/h2-8,10,15,17-18H,9H2,1H3.
What are the key properties of 3-(4-hydroxyphenyl)-4-methyl-3,4-dihydro-2H-chromen-7-ol?
3-(4-hydroxyphenyl)-4-methyl-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 256.30 g/mol, XLogP of 3.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-4-methyl-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 59846967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).