4-(3-methylphenyl)-2H-chromene

C16H14O — CID 102023615

IUPAC4-(3-methylphenyl)-2H-chromene
SMILESCc1cccc(C2=CCOc3ccccc32)c1
InChIInChI=1S/C16H14O/c1-12-5-4-6-13(11-12)14-9-10-17-16-8-3-2-7-15(14)16/h2-9,11H,10H2,1H3
InChIKeyQHYMWASCJJMPRL-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.82
Rot. Bonds1

About 4-(3-methylphenyl)-2H-chromene

4-(3-methylphenyl)-2H-chromene (PubChem CID 102023615) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(3-methylphenyl)-2H-chromene.

Molecular Properties

Compound Name4-(3-methylphenyl)-2H-chromene
PubChem CID102023615
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name4-(3-methylphenyl)-2H-chromene
SMILESCc1cccc(C2=CCOc3ccccc32)c1
InChIInChI=1S/C16H14O/c1-12-5-4-6-13(11-12)14-9-10-17-16-8-3-2-7-15(14)16/h2-9,11H,10H2,1H3
InChIKeyQHYMWASCJJMPRL-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(3-methylphenyl)-2,3-dihydro-1-benzoxepin-5-yl]phenol
CID 11232715
2-(3-methylphenyl)phenol
CID 11206198
4-methyl-2-(3-methylphenyl)-1-[2-(3-methylphenyl)phenyl]benzene
CID 58892355
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,10,14,16-heptaene
CID 174046531
ethane;1-methyl-3-phenylbenzene
CID 142040878
2-bromo-1,3-bis(3-methylphenyl)benzene
CID 3691341
2-iodo-1,3-bis(3-methylphenyl)benzene
CID 170072024
CID 91868785
CID 91868785
1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
CID 159346959
2-(3-methylphenyl)-6-phenylaniline
CID 150906011
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-2H-chromene?
The IUPAC name of 4-(3-methylphenyl)-2H-chromene (CID 102023615) is 4-(3-methylphenyl)-2H-chromene.
What is the SMILES notation for 4-(3-methylphenyl)-2H-chromene?
The canonical SMILES for 4-(3-methylphenyl)-2H-chromene is Cc1cccc(C2=CCOc3ccccc32)c1.
What is the InChIKey of 4-(3-methylphenyl)-2H-chromene?
The InChIKey is QHYMWASCJJMPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-12-5-4-6-13(11-12)14-9-10-17-16-8-3-2-7-15(14)16/h2-9,11H,10H2,1H3.
What are the key properties of 4-(3-methylphenyl)-2H-chromene?
4-(3-methylphenyl)-2H-chromene has a molecular weight of 222.29 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-2H-chromene is sourced from PubChem (CID 102023615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).