(3R)-3-ethyl-3,4-dihydro-1H-isochromene

C11H14O — CID 130319265

IUPAC(3R)-3-ethyl-3,4-dihydro-1H-isochromene
SMILESCC[C@@H]1Cc2ccccc2CO1
InChIInChI=1S/C11H14O/c1-2-11-7-9-5-3-4-6-10(9)8-12-11/h3-6,11H,2,7-8H2,1H3/t11-/m1/s1
InChIKeyFDTSMUWTTYMGKP-LLVKDONJSA-N
MW162.23 g/mol
LogP2.54
Rot. Bonds1

About (3R)-3-ethyl-3,4-dihydro-1H-isochromene

(3R)-3-ethyl-3,4-dihydro-1H-isochromene (PubChem CID 130319265) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (3R)-3-ethyl-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name(3R)-3-ethyl-3,4-dihydro-1H-isochromene
PubChem CID130319265
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(3R)-3-ethyl-3,4-dihydro-1H-isochromene
SMILESCC[C@@H]1Cc2ccccc2CO1
InChIInChI=1S/C11H14O/c1-2-11-7-9-5-3-4-6-10(9)8-12-11/h3-6,11H,2,7-8H2,1H3/t11-/m1/s1
InChIKeyFDTSMUWTTYMGKP-LLVKDONJSA-N
XLogP2.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dihydro-1H-isochromen-3-ylmethanamine
CID 54080829
2-(3,4-dihydro-1H-isochromen-3-yl)acetic acid
CID 10261981
(3R)-3-ethyl-5-(trifluoromethyl)-3,4-dihydro-1H-isochromene
CID 141375838
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methylpropane-1-sulfonamide
CID 90635916
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)butane-1-sulfonamide
CID 90635481
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide
CID 90635601
1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methyl-3-propylurea
CID 90635908
3-propan-2-yl-3,4-dihydro-1H-isochromene
CID 130319433
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)cyclopropanesulfonamide
CID 90635504
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyloxolane-3-carboxamide
CID 90635825
3-ethyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 89150261
2-chloro-N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methylbenzamide
CID 90635647

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-3,4-dihydro-1H-isochromene?
The IUPAC name of (3R)-3-ethyl-3,4-dihydro-1H-isochromene (CID 130319265) is (3R)-3-ethyl-3,4-dihydro-1H-isochromene.
What is the SMILES notation for (3R)-3-ethyl-3,4-dihydro-1H-isochromene?
The canonical SMILES for (3R)-3-ethyl-3,4-dihydro-1H-isochromene is CC[C@@H]1Cc2ccccc2CO1.
What is the InChIKey of (3R)-3-ethyl-3,4-dihydro-1H-isochromene?
The InChIKey is FDTSMUWTTYMGKP-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14O/c1-2-11-7-9-5-3-4-6-10(9)8-12-11/h3-6,11H,2,7-8H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-3-ethyl-3,4-dihydro-1H-isochromene?
(3R)-3-ethyl-3,4-dihydro-1H-isochromene has a molecular weight of 162.23 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 130319265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).