(2R,3R,6S)-6-(4-methoxyphenyl)-2-methyl-4-propan-2-ylideneoxan-3-ol

C16H22O3 — CID 134966085

IUPAC(2R,3R,6S)-6-(4-methoxyphenyl)-2-methyl-4-propan-2-ylideneoxan-3-ol
SMILESCOc1ccc([C@@H]2CC(=C(C)C)[C@@H](O)[C@@H](C)O2)cc1
InChIInChI=1S/C16H22O3/c1-10(2)14-9-15(19-11(3)16(14)17)12-5-7-13(18-4)8-6-12/h5-8,11,15-17H,9H2,1-4H3/t11-,15+,16+/m1/s1
InChIKeyTXAJAVZENNDHAA-RLCCDNCMSA-N
MW262.35 g/mol
LogP3.24
Rot. Bonds2

About (2R,3R,6S)-6-(4-methoxyphenyl)-2-methyl-4-propan-2-ylideneoxan-3-ol

(2R,3R,6S)-6-(4-methoxyphenyl)-2-methyl-4-propan-2-ylideneoxan-3-ol (PubChem CID 134966085) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2R,3R,6S)-6-(4-methoxyphenyl)-2-methyl-4-propan-2-ylideneoxan-3-ol.

Molecular Properties

Compound Name(2R,3R,6S)-6-(4-methoxyphenyl)-2-methyl-4-propan-2-ylideneoxan-3-ol
PubChem CID134966085
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(2R,3R,6S)-6-(4-methoxyphenyl)-2-methyl-4-propan-2-ylideneoxan-3-ol
SMILESCOc1ccc([C@@H]2CC(=C(C)C)[C@@H](O)[C@@H](C)O2)cc1
InChIInChI=1S/C16H22O3/c1-10(2)14-9-15(19-11(3)16(14)17)12-5-7-13(18-4)8-6-12/h5-8,11,15-17H,9H2,1-4H3/t11-,15+,16+/m1/s1
InChIKeyTXAJAVZENNDHAA-RLCCDNCMSA-N
XLogP3.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3R,6S)-6-(4-methoxyphenyl)-2-methyl-4-propan-2-ylideneoxan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-6-(4-methoxyphenyl)-2-methyl-4-propan-2-ylideneoxan-3-ol?
The IUPAC name of (2R,3R,6S)-6-(4-methoxyphenyl)-2-methyl-4-propan-2-ylideneoxan-3-ol (CID 134966085) is (2R,3R,6S)-6-(4-methoxyphenyl)-2-methyl-4-propan-2-ylideneoxan-3-ol.
What is the SMILES notation for (2R,3R,6S)-6-(4-methoxyphenyl)-2-methyl-4-propan-2-ylideneoxan-3-ol?
The canonical SMILES for (2R,3R,6S)-6-(4-methoxyphenyl)-2-methyl-4-propan-2-ylideneoxan-3-ol is COc1ccc([C@@H]2CC(=C(C)C)[C@@H](O)[C@@H](C)O2)cc1.
What is the InChIKey of (2R,3R,6S)-6-(4-methoxyphenyl)-2-methyl-4-propan-2-ylideneoxan-3-ol?
The InChIKey is TXAJAVZENNDHAA-RLCCDNCMSA-N. The full InChI is InChI=1S/C16H22O3/c1-10(2)14-9-15(19-11(3)16(14)17)12-5-7-13(18-4)8-6-12/h5-8,11,15-17H,9H2,1-4H3/t11-,15+,16+/m1/s1.
What are the key properties of (2R,3R,6S)-6-(4-methoxyphenyl)-2-methyl-4-propan-2-ylideneoxan-3-ol?
(2R,3R,6S)-6-(4-methoxyphenyl)-2-methyl-4-propan-2-ylideneoxan-3-ol has a molecular weight of 262.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-6-(4-methoxyphenyl)-2-methyl-4-propan-2-ylideneoxan-3-ol is sourced from PubChem (CID 134966085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).