[(2R)-7-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-chromen-2-yl]methanol

C16H18O4S — CID 71196030

IUPAC[(2R)-7-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-chromen-2-yl]methanol
SMILESO=S(=O)(c1ccc2c(c1)O[C@@H](CO)CC2)C1C=CC=CC1
InChIInChI=1S/C16H18O4S/c17-11-13-8-6-12-7-9-15(10-16(12)20-13)21(18,19)14-4-2-1-3-5-14/h1-4,7,9-10,13-14,17H,5-6,8,11H2/t13-,14?/m1/s1
InChIKeyAUHRLXKYVVLIPB-KWCCSABGSA-N
MW306.38 g/mol
LogP2.03
Rot. Bonds3

About [(2R)-7-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-chromen-2-yl]methanol

[(2R)-7-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-chromen-2-yl]methanol (PubChem CID 71196030) has the molecular formula C16H18O4S and a molecular weight of 306.38 g/mol. Its IUPAC name is [(2R)-7-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-chromen-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-7-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-chromen-2-yl]methanol
PubChem CID71196030
Molecular FormulaC16H18O4S
Molecular Weight306.38 g/mol
Exact Mass306.09
IUPAC Name[(2R)-7-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-chromen-2-yl]methanol
SMILESO=S(=O)(c1ccc2c(c1)O[C@@H](CO)CC2)C1C=CC=CC1
InChIInChI=1S/C16H18O4S/c17-11-13-8-6-12-7-9-15(10-16(12)20-13)21(18,19)14-4-2-1-3-5-14/h1-4,7,9-10,13-14,17H,5-6,8,11H2/t13-,14?/m1/s1
InChIKeyAUHRLXKYVVLIPB-KWCCSABGSA-N
XLogP2.03
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-7-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-chromen-2-yl]methanol?
The IUPAC name of [(2R)-7-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-chromen-2-yl]methanol (CID 71196030) is [(2R)-7-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-chromen-2-yl]methanol.
What is the SMILES notation for [(2R)-7-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-chromen-2-yl]methanol?
The canonical SMILES for [(2R)-7-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-chromen-2-yl]methanol is O=S(=O)(c1ccc2c(c1)O[C@@H](CO)CC2)C1C=CC=CC1.
What is the InChIKey of [(2R)-7-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-chromen-2-yl]methanol?
The InChIKey is AUHRLXKYVVLIPB-KWCCSABGSA-N. The full InChI is InChI=1S/C16H18O4S/c17-11-13-8-6-12-7-9-15(10-16(12)20-13)21(18,19)14-4-2-1-3-5-14/h1-4,7,9-10,13-14,17H,5-6,8,11H2/t13-,14?/m1/s1.
What are the key properties of [(2R)-7-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-chromen-2-yl]methanol?
[(2R)-7-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-chromen-2-yl]methanol has a molecular weight of 306.38 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-7-cyclohexa-2,4-dien-1-ylsulfonyl-3,4-dihydro-2H-chromen-2-yl]methanol is sourced from PubChem (CID 71196030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).