(2S,3S)-3-methyl-2-(4-methylphenyl)-2,3-dihydrofuran

C12H14O — CID 134955528

IUPAC(2S,3S)-3-methyl-2-(4-methylphenyl)-2,3-dihydrofuran
SMILESCc1ccc([C@H]2OC=C[C@@H]2C)cc1
InChIInChI=1S/C12H14O/c1-9-3-5-11(6-4-9)12-10(2)7-8-13-12/h3-8,10,12H,1-2H3/t10-,12-/m0/s1
InChIKeyNVYZPPUQQXMUKY-JQWIXIFHSA-N
MW174.24 g/mol
LogP3.22
Rot. Bonds1

About (2S,3S)-3-methyl-2-(4-methylphenyl)-2,3-dihydrofuran

(2S,3S)-3-methyl-2-(4-methylphenyl)-2,3-dihydrofuran (PubChem CID 134955528) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-(4-methylphenyl)-2,3-dihydrofuran.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-(4-methylphenyl)-2,3-dihydrofuran
PubChem CID134955528
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(2S,3S)-3-methyl-2-(4-methylphenyl)-2,3-dihydrofuran
SMILESCc1ccc([C@H]2OC=C[C@@H]2C)cc1
InChIInChI=1S/C12H14O/c1-9-3-5-11(6-4-9)12-10(2)7-8-13-12/h3-8,10,12H,1-2H3/t10-,12-/m0/s1
InChIKeyNVYZPPUQQXMUKY-JQWIXIFHSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylphenyl)-3-phenyloxirane
CID 602487
(2R,4R,5S,6R)-2,4,5-trimethyl-6-(4-methylphenyl)-1,3-dioxane
CID 13179340
2-(4-methylphenyl)-3-propan-2-yloxirane
CID 147832404
(4S,5R)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 119058040
(4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one
CID 177461861
(3R,6R)-3-methyl-6-(4-methylphenyl)-3,6-dihydro-1,2-dioxine
CID 134929154
[3-(4-methylphenyl)oxiran-2-yl]methylphosphane
CID 123541093
benzene;bis(1,4-xylene)
CID 159472747
(2R,3S)-3-methyl-2-(4-methylphenyl)morpholine
CID 93262596
5-ethyl-3-methyl-2-(4-methylphenyl)morpholine
CID 43366887
3-(4-methylphenyl)oxirane-2-carboxylic acid
CID 15225103
3,3-difluoro-2-(4-methylphenyl)-2H-furan
CID 23655998

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-(4-methylphenyl)-2,3-dihydrofuran?
The IUPAC name of (2S,3S)-3-methyl-2-(4-methylphenyl)-2,3-dihydrofuran (CID 134955528) is (2S,3S)-3-methyl-2-(4-methylphenyl)-2,3-dihydrofuran.
What is the SMILES notation for (2S,3S)-3-methyl-2-(4-methylphenyl)-2,3-dihydrofuran?
The canonical SMILES for (2S,3S)-3-methyl-2-(4-methylphenyl)-2,3-dihydrofuran is Cc1ccc([C@H]2OC=C[C@@H]2C)cc1.
What is the InChIKey of (2S,3S)-3-methyl-2-(4-methylphenyl)-2,3-dihydrofuran?
The InChIKey is NVYZPPUQQXMUKY-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H14O/c1-9-3-5-11(6-4-9)12-10(2)7-8-13-12/h3-8,10,12H,1-2H3/t10-,12-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-(4-methylphenyl)-2,3-dihydrofuran?
(2S,3S)-3-methyl-2-(4-methylphenyl)-2,3-dihydrofuran has a molecular weight of 174.24 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-(4-methylphenyl)-2,3-dihydrofuran is sourced from PubChem (CID 134955528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).