2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol

C16H16O3 — CID 114715253

IUPAC2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)C(O)CC(c1cccc(O)c1)O2
InChIInChI=1S/C16H16O3/c1-10-5-6-15-13(7-10)14(18)9-16(19-15)11-3-2-4-12(17)8-11/h2-8,14,16-18H,9H2,1H3
InChIKeyDSTWCXOHWNCOPW-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.26
Rot. Bonds1

About 2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol

2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715253) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715253
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)C(O)CC(c1cccc(O)c1)O2
InChIInChI=1S/C16H16O3/c1-10-5-6-15-13(7-10)14(18)9-16(19-15)11-3-2-4-12(17)8-11/h2-8,14,16-18H,9H2,1H3
InChIKeyDSTWCXOHWNCOPW-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715244
2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714953
(4S)-2-(3-chloro-4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950608
2-(3-fluorophenyl)-3,4-dihydro-2H-chromene-4,6-diol
CID 157484623
2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715194
(4R)-2-[4-(difluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950334
2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714377
2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715161
(4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950688
2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715251
6-methyl-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715181
(4R)-2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950366

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol (CID 114715253) is 2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol is Cc1ccc2c(c1)C(O)CC(c1cccc(O)c1)O2.
What is the InChIKey of 2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is DSTWCXOHWNCOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-10-5-6-15-13(7-10)14(18)9-16(19-15)11-3-2-4-12(17)8-11/h2-8,14,16-18H,9H2,1H3.
What are the key properties of 2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 256.30 g/mol, XLogP of 3.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).