3,6,8-trimethyl-6H-benzo[c]chromene

C16H16O — CID 59449406

IUPAC3,6,8-trimethyl-6H-benzo[c]chromene
SMILESCc1ccc2c(c1)OC(C)c1cc(C)ccc1-2
InChIInChI=1S/C16H16O/c1-10-4-6-13-14-7-5-11(2)9-16(14)17-12(3)15(13)8-10/h4-9,12H,1-3H3
InChIKeyUFVXJNNKFQXLPI-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.42
Rot. Bonds

About 3,6,8-trimethyl-6H-benzo[c]chromene

3,6,8-trimethyl-6H-benzo[c]chromene (PubChem CID 59449406) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 3,6,8-trimethyl-6H-benzo[c]chromene.

Molecular Properties

Compound Name3,6,8-trimethyl-6H-benzo[c]chromene
PubChem CID59449406
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name3,6,8-trimethyl-6H-benzo[c]chromene
SMILESCc1ccc2c(c1)OC(C)c1cc(C)ccc1-2
InChIInChI=1S/C16H16O/c1-10-4-6-13-14-7-5-11(2)9-16(14)17-12(3)15(13)8-10/h4-9,12H,1-3H3
InChIKeyUFVXJNNKFQXLPI-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol
CID 167666261
8-methyl-6-phenyl-6H-benzo[c]chromene
CID 90278645
2,7-dimethyl-2,3-dihydrochromen-4-one
CID 584383
2,5-dimethyl-3-methylidene-1-benzofuran
CID 126604553
3-chloro-2,7-dimethyl-2H-1,4-benzoxazine
CID 82363801
9-ethenyl-2,7-dimethyl-9H-fluorene
CID 22619298
3,6-dimethyl-11-phenyl-6H-benzo[b][4,1]benzoxazepine
CID 129207744
2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol
CID 13013063
(2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene
CID 126699254
(3R)-3-hydroxy-5-methyl-3H-2-benzofuran-1-one
CID 92981910
2,6,9,10-tetramethyl-9,10-dihydroanthracene
CID 140827349
ethane;9-ethyl-2,7-dimethyl-9H-fluorene;methane
CID 145053963

Frequently Asked Questions

What is the IUPAC name of 3,6,8-trimethyl-6H-benzo[c]chromene?
The IUPAC name of 3,6,8-trimethyl-6H-benzo[c]chromene (CID 59449406) is 3,6,8-trimethyl-6H-benzo[c]chromene.
What is the SMILES notation for 3,6,8-trimethyl-6H-benzo[c]chromene?
The canonical SMILES for 3,6,8-trimethyl-6H-benzo[c]chromene is Cc1ccc2c(c1)OC(C)c1cc(C)ccc1-2.
What is the InChIKey of 3,6,8-trimethyl-6H-benzo[c]chromene?
The InChIKey is UFVXJNNKFQXLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-10-4-6-13-14-7-5-11(2)9-16(14)17-12(3)15(13)8-10/h4-9,12H,1-3H3.
What are the key properties of 3,6,8-trimethyl-6H-benzo[c]chromene?
3,6,8-trimethyl-6H-benzo[c]chromene has a molecular weight of 224.30 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,8-trimethyl-6H-benzo[c]chromene is sourced from PubChem (CID 59449406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).