(2R,3S)-3-ethyl-2-[(4-methylphenyl)methyl]oxolane

C14H20O — CID 11481131

IUPAC(2R,3S)-3-ethyl-2-[(4-methylphenyl)methyl]oxolane
SMILESCC[C@H]1CCO[C@@H]1Cc1ccc(C)cc1
InChIInChI=1S/C14H20O/c1-3-13-8-9-15-14(13)10-12-6-4-11(2)5-7-12/h4-7,13-14H,3,8-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyHVPIPHBCGPLBOX-UONOGXRCSA-N
MW204.31 g/mol
LogP3.35
Rot. Bonds3

About (2R,3S)-3-ethyl-2-[(4-methylphenyl)methyl]oxolane

(2R,3S)-3-ethyl-2-[(4-methylphenyl)methyl]oxolane (PubChem CID 11481131) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (2R,3S)-3-ethyl-2-[(4-methylphenyl)methyl]oxolane.

Molecular Properties

Compound Name(2R,3S)-3-ethyl-2-[(4-methylphenyl)methyl]oxolane
PubChem CID11481131
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(2R,3S)-3-ethyl-2-[(4-methylphenyl)methyl]oxolane
SMILESCC[C@H]1CCO[C@@H]1Cc1ccc(C)cc1
InChIInChI=1S/C14H20O/c1-3-13-8-9-15-14(13)10-12-6-4-11(2)5-7-12/h4-7,13-14H,3,8-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyHVPIPHBCGPLBOX-UONOGXRCSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-benzyloxolan-3-yl)methyl]ethanamine
CID 79368716
(2-benzyloxolan-3-yl)methanamine
CID 79368410
1-(2-benzyloxolan-3-yl)-N-methylmethanamine
CID 79368511
(3-ethyloxolan-2-yl)methanol
CID 139662526
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669
N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine
CID 71634426
(3R,4R)-N-cyclopropyl-3-[(4-methylphenyl)methyl]oxan-4-amine
CID 97176373
(3aS,4R,8R,8aS)-4,8-bis[(4-methylphenyl)methyl]-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one
CID 100984884
2-[(4-methylphenyl)methyl]-1,3-oxazolidine;hydrochloride
CID 117225781
N'-[(2-ethyloxolan-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313171
3-ethyl-2-(2-methylpropyl)oxolane
CID 177048891
4-bromo-3-[(4-methylphenyl)methyl]oxane
CID 106471574

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-ethyl-2-[(4-methylphenyl)methyl]oxolane?
The IUPAC name of (2R,3S)-3-ethyl-2-[(4-methylphenyl)methyl]oxolane (CID 11481131) is (2R,3S)-3-ethyl-2-[(4-methylphenyl)methyl]oxolane.
What is the SMILES notation for (2R,3S)-3-ethyl-2-[(4-methylphenyl)methyl]oxolane?
The canonical SMILES for (2R,3S)-3-ethyl-2-[(4-methylphenyl)methyl]oxolane is CC[C@H]1CCO[C@@H]1Cc1ccc(C)cc1.
What is the InChIKey of (2R,3S)-3-ethyl-2-[(4-methylphenyl)methyl]oxolane?
The InChIKey is HVPIPHBCGPLBOX-UONOGXRCSA-N. The full InChI is InChI=1S/C14H20O/c1-3-13-8-9-15-14(13)10-12-6-4-11(2)5-7-12/h4-7,13-14H,3,8-10H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (2R,3S)-3-ethyl-2-[(4-methylphenyl)methyl]oxolane?
(2R,3S)-3-ethyl-2-[(4-methylphenyl)methyl]oxolane has a molecular weight of 204.31 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-ethyl-2-[(4-methylphenyl)methyl]oxolane is sourced from PubChem (CID 11481131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).