furan-2-yl-(5-methyl-1,2,3,4-tetrahydrochrysen-2-yl)methanone

C24H20O2 — CID 174755236

IUPACfuran-2-yl-(5-methyl-1,2,3,4-tetrahydrochrysen-2-yl)methanone
SMILESCc1cc2ccccc2c2ccc3c(c12)CCC(C(=O)c1ccco1)C3
InChIInChI=1S/C24H20O2/c1-15-13-16-5-2-3-6-19(16)21-11-8-17-14-18(9-10-20(17)23(15)21)24(25)22-7-4-12-26-22/h2-8,11-13,18H,9-10,14H2,1H3
InChIKeyNVXUASVOTYMAPI-UHFFFAOYSA-N
MW340.42 g/mol
LogP5.88
Rot. Bonds2

About furan-2-yl-(5-methyl-1,2,3,4-tetrahydrochrysen-2-yl)methanone

furan-2-yl-(5-methyl-1,2,3,4-tetrahydrochrysen-2-yl)methanone (PubChem CID 174755236) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is furan-2-yl-(5-methyl-1,2,3,4-tetrahydrochrysen-2-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(5-methyl-1,2,3,4-tetrahydrochrysen-2-yl)methanone
PubChem CID174755236
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Namefuran-2-yl-(5-methyl-1,2,3,4-tetrahydrochrysen-2-yl)methanone
SMILESCc1cc2ccccc2c2ccc3c(c12)CCC(C(=O)c1ccco1)C3
InChIInChI=1S/C24H20O2/c1-15-13-16-5-2-3-6-19(16)21-11-8-17-14-18(9-10-20(17)23(15)21)24(25)22-7-4-12-26-22/h2-8,11-13,18H,9-10,14H2,1H3
InChIKeyNVXUASVOTYMAPI-UHFFFAOYSA-N
XLogP5.88
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1H-inden-2-yl(furan-2-yl)methanone
CID 65408377
azane;furan-2-carboxylic acid;1,2,3,4-tetrahydrochrysene
CID 174828301
2-(1,2,3,4-tetrahydrochrysen-5-yl)acetic acid
CID 23622588
(3,4-dimethylcyclohexyl)-(furan-2-yl)methanone
CID 64738417
furan;2-methyl-1,2,3,4-tetrahydrochrysene
CID 174285203
10-methoxy-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid
CID 10729760
2-ethyl-5-(4-pentylcyclohexyl)-1,2,3,4-tetrahydrochrysene
CID 174758892
3-(2,5-dihydroxy-3,4-dihydro-1H-chrysen-2-yl)furan-2-carboxylic acid
CID 174359651
2,3-dihydro-1H-inden-2-yl-(5-methylfuran-3-yl)methanone
CID 106893079
(3-chloro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126880
(3S,5R,6S,7R)-19-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
CID 23254023
(2-bromofuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126854

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(5-methyl-1,2,3,4-tetrahydrochrysen-2-yl)methanone?
The IUPAC name of furan-2-yl-(5-methyl-1,2,3,4-tetrahydrochrysen-2-yl)methanone (CID 174755236) is furan-2-yl-(5-methyl-1,2,3,4-tetrahydrochrysen-2-yl)methanone.
What is the SMILES notation for furan-2-yl-(5-methyl-1,2,3,4-tetrahydrochrysen-2-yl)methanone?
The canonical SMILES for furan-2-yl-(5-methyl-1,2,3,4-tetrahydrochrysen-2-yl)methanone is Cc1cc2ccccc2c2ccc3c(c12)CCC(C(=O)c1ccco1)C3.
What is the InChIKey of furan-2-yl-(5-methyl-1,2,3,4-tetrahydrochrysen-2-yl)methanone?
The InChIKey is NVXUASVOTYMAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O2/c1-15-13-16-5-2-3-6-19(16)21-11-8-17-14-18(9-10-20(17)23(15)21)24(25)22-7-4-12-26-22/h2-8,11-13,18H,9-10,14H2,1H3.
What are the key properties of furan-2-yl-(5-methyl-1,2,3,4-tetrahydrochrysen-2-yl)methanone?
furan-2-yl-(5-methyl-1,2,3,4-tetrahydrochrysen-2-yl)methanone has a molecular weight of 340.42 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(5-methyl-1,2,3,4-tetrahydrochrysen-2-yl)methanone is sourced from PubChem (CID 174755236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).