2-anthracen-9-yl-3-methylfuran

C19H14O — CID 139238937

IUPAC2-anthracen-9-yl-3-methylfuran
SMILESCc1ccoc1-c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H14O/c1-13-10-11-20-19(13)18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)18/h2-12H,1H3
InChIKeyPDGWJQMUZGMLNP-UHFFFAOYSA-N
MW258.32 g/mol
LogP5.56
Rot. Bonds1

About 2-anthracen-9-yl-3-methylfuran

2-anthracen-9-yl-3-methylfuran (PubChem CID 139238937) has the molecular formula C19H14O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-anthracen-9-yl-3-methylfuran.

Molecular Properties

Compound Name2-anthracen-9-yl-3-methylfuran
PubChem CID139238937
Molecular FormulaC19H14O
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Name2-anthracen-9-yl-3-methylfuran
SMILESCc1ccoc1-c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H14O/c1-13-10-11-20-19(13)18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)18/h2-12H,1H3
InChIKeyPDGWJQMUZGMLNP-UHFFFAOYSA-N
XLogP5.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.32
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylfuran-2-yl)isoquinoline
CID 139238940
9-anthracen-9-ylanthracene;toluene
CID 86148014
4-oxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(20),2(9),3(7),5,10,12,14,16,18-nonaene
CID 58915735
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908
acetonitrile;9-anthracen-9-ylanthracene
CID 71362371
10,15-dimethyl-12,13-dithiapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 57370960
2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine
CID 131973884
3-(2-methylnaphthalen-1-yl)furan-2-carbaldehyde
CID 106888487
4-anthracen-9-yl-2-methylphenol
CID 156873853
9-(2,3-dimethylanthracen-9-yl)-2,3,6-trimethylanthracene
CID 123193685
ethane;9-methylanthracene;naphthalene
CID 161226057

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-9-yl-3-methylfuran?
The IUPAC name of 2-anthracen-9-yl-3-methylfuran (CID 139238937) is 2-anthracen-9-yl-3-methylfuran.
What is the SMILES notation for 2-anthracen-9-yl-3-methylfuran?
The canonical SMILES for 2-anthracen-9-yl-3-methylfuran is Cc1ccoc1-c1c2ccccc2cc2ccccc12.
What is the InChIKey of 2-anthracen-9-yl-3-methylfuran?
The InChIKey is PDGWJQMUZGMLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O/c1-13-10-11-20-19(13)18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)18/h2-12H,1H3.
What are the key properties of 2-anthracen-9-yl-3-methylfuran?
2-anthracen-9-yl-3-methylfuran has a molecular weight of 258.32 g/mol, XLogP of 5.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-9-yl-3-methylfuran is sourced from PubChem (CID 139238937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).