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

C17H16O3 — CID 142068243

IUPAC3-(4-hydroxyphenyl)-3-methyl-4-methylidene-2H-chromen-7-ol
SMILESC=C1c2ccc(O)cc2OCC1(C)c1ccc(O)cc1
InChIInChI=1S/C17H16O3/c1-11-15-8-7-14(19)9-16(15)20-10-17(11,2)12-3-5-13(18)6-4-12/h3-9,18-19H,1,10H2,2H3
InChIKeyBPYSLBFLKQRIMT-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.46
Rot. Bonds1

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

3-(4-hydroxyphenyl)-3-methyl-4-methylidene-2H-chromen-7-ol (PubChem CID 142068243) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-3-methyl-4-methylidene-2H-chromen-7-ol.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-3-methyl-4-methylidene-2H-chromen-7-ol
PubChem CID142068243
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name3-(4-hydroxyphenyl)-3-methyl-4-methylidene-2H-chromen-7-ol
SMILESC=C1c2ccc(O)cc2OCC1(C)c1ccc(O)cc1
InChIInChI=1S/C17H16O3/c1-11-15-8-7-14(19)9-16(15)20-10-17(11,2)12-3-5-13(18)6-4-12/h3-9,18-19H,1,10H2,2H3
InChIKeyBPYSLBFLKQRIMT-UHFFFAOYSA-N
XLogP3.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-7-hydroxy-3-phenyl-2H-chromen-4-one
CID 175439707
10,10-dimethoxy-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,14,15-triol
CID 11347693
CID 163057117
CID 163057117
3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol
CID 115095335
4-[(2R)-2-amino-1-methylcyclopropyl]phenol
CID 105432218
8-hydroxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 59403478
7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2H-chromen-4-one
CID 15481763
4-(4-hydroxyphenyl)-4-methyloxolan-2-one
CID 105445803
2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 23175924
6a-methyl-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,9,10-triol
CID 76780239
methane;4-(3-methyl-4-prop-2-enyl-2,4-dihydrochromen-3-yl)phenol
CID 142068368
4-[(4R)-2,2,4,6-tetramethyl-3H-chromen-4-yl]phenol
CID 139203808

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-3-methyl-4-methylidene-2H-chromen-7-ol?
The IUPAC name of 3-(4-hydroxyphenyl)-3-methyl-4-methylidene-2H-chromen-7-ol (CID 142068243) is 3-(4-hydroxyphenyl)-3-methyl-4-methylidene-2H-chromen-7-ol.
What is the SMILES notation for 3-(4-hydroxyphenyl)-3-methyl-4-methylidene-2H-chromen-7-ol?
The canonical SMILES for 3-(4-hydroxyphenyl)-3-methyl-4-methylidene-2H-chromen-7-ol is C=C1c2ccc(O)cc2OCC1(C)c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-3-methyl-4-methylidene-2H-chromen-7-ol?
The InChIKey is BPYSLBFLKQRIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-11-15-8-7-14(19)9-16(15)20-10-17(11,2)12-3-5-13(18)6-4-12/h3-9,18-19H,1,10H2,2H3.
What are the key properties of 3-(4-hydroxyphenyl)-3-methyl-4-methylidene-2H-chromen-7-ol?
3-(4-hydroxyphenyl)-3-methyl-4-methylidene-2H-chromen-7-ol has a molecular weight of 268.31 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-3-methyl-4-methylidene-2H-chromen-7-ol is sourced from PubChem (CID 142068243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).