2,5,8-trimethyl-3,4-dihydro-2H-chromene

C12H16O — CID 167473800

IUPAC2,5,8-trimethyl-3,4-dihydro-2H-chromene
SMILESCc1ccc(C)c2c1CCC(C)O2
InChIInChI=1S/C12H16O/c1-8-4-5-9(2)12-11(8)7-6-10(3)13-12/h4-5,10H,6-7H2,1-3H3
InChIKeyYUBNRHSHSGLNHD-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.02
Rot. Bonds

About 2,5,8-trimethyl-3,4-dihydro-2H-chromene

2,5,8-trimethyl-3,4-dihydro-2H-chromene (PubChem CID 167473800) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,5,8-trimethyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2,5,8-trimethyl-3,4-dihydro-2H-chromene
PubChem CID167473800
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2,5,8-trimethyl-3,4-dihydro-2H-chromene
SMILESCc1ccc(C)c2c1CCC(C)O2
InChIInChI=1S/C12H16O/c1-8-4-5-9(2)12-11(8)7-6-10(3)13-12/h4-5,10H,6-7H2,1-3H3
InChIKeyYUBNRHSHSGLNHD-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-(2,5-dimethyl-3,4-dihydro-2H-chromen-8-yl)-methoxycarbonylimino-oxidoazanium
CID 117060753
2,5,7-trimethyl-3,4-dihydro-2H-thieno[3,4-b]pyran
CID 155032390
(2S)-6-ethenoxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromene
CID 155713423
ethane;5-fluoro-8-methoxy-2-methyl-3,4-dihydro-2H-chromene
CID 142276557
(2S)-2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydro-2H-chromene
CID 70422364
4,6-difluoro-3,7-dimethyldibenzofuran;bis(7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene)
CID 158886746
4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene
CID 161217958
8-chloro-7-fluoro-2,6-dimethyl-3,4-dihydro-2H-chromene
CID 59795393
8-fluoro-5-methyl-3,4-dihydro-2H-chromene
CID 66604057
6-(methoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromene
CID 172845448
2,2-difluoro-5,8-dimethyl-3,4-dihydrochromene
CID 143987826
2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79001888

Frequently Asked Questions

What is the IUPAC name of 2,5,8-trimethyl-3,4-dihydro-2H-chromene?
The IUPAC name of 2,5,8-trimethyl-3,4-dihydro-2H-chromene (CID 167473800) is 2,5,8-trimethyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2,5,8-trimethyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 2,5,8-trimethyl-3,4-dihydro-2H-chromene is Cc1ccc(C)c2c1CCC(C)O2.
What is the InChIKey of 2,5,8-trimethyl-3,4-dihydro-2H-chromene?
The InChIKey is YUBNRHSHSGLNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-8-4-5-9(2)12-11(8)7-6-10(3)13-12/h4-5,10H,6-7H2,1-3H3.
What are the key properties of 2,5,8-trimethyl-3,4-dihydro-2H-chromene?
2,5,8-trimethyl-3,4-dihydro-2H-chromene has a molecular weight of 176.26 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8-trimethyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 167473800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).