4-(3-methylchromenylium-2-yl)phenol

C16H13O2+ — CID 12069878

IUPAC4-(3-methylchromenylium-2-yl)phenol
SMILESCc1cc2ccccc2[o+]c1-c1ccc(O)cc1
InChIInChI=1S/C16H12O2/c1-11-10-13-4-2-3-5-15(13)18-16(11)12-6-8-14(17)9-7-12/h2-10H,1H3/p+1
InChIKeyQDCILKCAVQSIQJ-UHFFFAOYSA-O
MW237.28 g/mol
LogP4.39
Rot. Bonds1

About 4-(3-methylchromenylium-2-yl)phenol

4-(3-methylchromenylium-2-yl)phenol (PubChem CID 12069878) has the molecular formula C16H13O2+ and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-(3-methylchromenylium-2-yl)phenol.

Molecular Properties

Compound Name4-(3-methylchromenylium-2-yl)phenol
PubChem CID12069878
Molecular FormulaC16H13O2+
Molecular Weight237.28 g/mol
Exact Mass237.09
IUPAC Name4-(3-methylchromenylium-2-yl)phenol
SMILESCc1cc2ccccc2[o+]c1-c1ccc(O)cc1
InChIInChI=1S/C16H12O2/c1-11-10-13-4-2-3-5-15(13)18-16(11)12-6-8-14(17)9-7-12/h2-10H,1H3/p+1
InChIKeyQDCILKCAVQSIQJ-UHFFFAOYSA-O
XLogP4.39
TPSA31.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxyphenyl)chromenylium-3-ol chloride
CID 12932323
3-(4-hydroxyphenyl)naphthalen-2-ol
CID 173247043
benzene-1,4-diol;bis(1,2-xylene)
CID 175366536
4-[2-[[2-(4-hydroxyphenyl)-6-methylphenyl]methyl]-3-methylphenyl]phenol
CID 154133562
3-(4-chlorophenyl)-2-methylchromenylium
CID 21312470
benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
4-[1-(4-hydroxyphenyl)-1-[4-(4-naphthalen-2-ylphenyl)phenyl]ethyl]phenol
CID 176584463
6-(2-methylphenyl)naphthalen-1-ol
CID 71167346
phenol;1,2,4,5-tetramethylbenzene
CID 158089853
1,1'-biphenyl;naphthalene;phenol
CID 159002551
3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline
CID 134841848
xanthylium perchlorate
CID 12535320

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylchromenylium-2-yl)phenol?
The IUPAC name of 4-(3-methylchromenylium-2-yl)phenol (CID 12069878) is 4-(3-methylchromenylium-2-yl)phenol.
What is the SMILES notation for 4-(3-methylchromenylium-2-yl)phenol?
The canonical SMILES for 4-(3-methylchromenylium-2-yl)phenol is Cc1cc2ccccc2[o+]c1-c1ccc(O)cc1.
What is the InChIKey of 4-(3-methylchromenylium-2-yl)phenol?
The InChIKey is QDCILKCAVQSIQJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H12O2/c1-11-10-13-4-2-3-5-15(13)18-16(11)12-6-8-14(17)9-7-12/h2-10H,1H3/p+1.
What are the key properties of 4-(3-methylchromenylium-2-yl)phenol?
4-(3-methylchromenylium-2-yl)phenol has a molecular weight of 237.28 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylchromenylium-2-yl)phenol is sourced from PubChem (CID 12069878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).