3,4-dimethyl-3,4-dihydro-2H-chromene;methanol

C12H18O2 — CID 90924294

IUPAC3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
SMILESCC1COc2ccccc2C1C.CO
InChIInChI=1S/C11H14O.CH4O/c1-8-7-12-11-6-4-3-5-10(11)9(8)2;1-2/h3-6,8-9H,7H2,1-2H3;2H,1H3
InChIKeyFKCOGWIBVBSAGX-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.43
Rot. Bonds

About 3,4-dimethyl-3,4-dihydro-2H-chromene;methanol

3,4-dimethyl-3,4-dihydro-2H-chromene;methanol (PubChem CID 90924294) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3,4-dimethyl-3,4-dihydro-2H-chromene;methanol.

Molecular Properties

Compound Name3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
PubChem CID90924294
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
SMILESCC1COc2ccccc2C1C.CO
InChIInChI=1S/C11H14O.CH4O/c1-8-7-12-11-6-4-3-5-10(11)9(8)2;1-2/h3-6,8-9H,7H2,1-2H3;2H,1H3
InChIKeyFKCOGWIBVBSAGX-UHFFFAOYSA-N
XLogP2.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
2,3-dihydro-1-benzofuran-3-ol
CID 585896
2-[methyl-(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid
CID 104524795
(3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 10538469
N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azetidin-3-amine
CID 113422694
N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 45088771
4-methyl-3-(2-methyl-1-benzofuran-3-yl)-3,4-dihydro-2H-chromene
CID 23542478
methyl 2-hydroxy-2-(3-methyl-3,4-dihydro-2H-chromen-4-yl)acetate
CID 104524938
3-iodo-2,3-dihydro-1-benzofuran
CID 154708354
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol
CID 106125894
3-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 104524260

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-3,4-dihydro-2H-chromene;methanol?
The IUPAC name of 3,4-dimethyl-3,4-dihydro-2H-chromene;methanol (CID 90924294) is 3,4-dimethyl-3,4-dihydro-2H-chromene;methanol.
What is the SMILES notation for 3,4-dimethyl-3,4-dihydro-2H-chromene;methanol?
The canonical SMILES for 3,4-dimethyl-3,4-dihydro-2H-chromene;methanol is CC1COc2ccccc2C1C.CO.
What is the InChIKey of 3,4-dimethyl-3,4-dihydro-2H-chromene;methanol?
The InChIKey is FKCOGWIBVBSAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.CH4O/c1-8-7-12-11-6-4-3-5-10(11)9(8)2;1-2/h3-6,8-9H,7H2,1-2H3;2H,1H3.
What are the key properties of 3,4-dimethyl-3,4-dihydro-2H-chromene;methanol?
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol has a molecular weight of 194.27 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-3,4-dihydro-2H-chromene;methanol is sourced from PubChem (CID 90924294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).