(5S)-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene

C15H18O — CID 102517946

IUPAC(5S)-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene
SMILESc1ccc([C@@H]2CCCC3=C2CCCO3)cc1
InChIInChI=1S/C15H18O/c1-2-6-12(7-3-1)13-8-4-10-15-14(13)9-5-11-16-15/h1-3,6-7,13H,4-5,8-11H2/t13-/m0/s1
InChIKeyAXWDPHHLQQIBOK-ZDUSSCGKSA-N
MW214.31 g/mol
LogP4.02
Rot. Bonds1

About (5S)-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene

(5S)-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene (PubChem CID 102517946) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (5S)-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene.

Molecular Properties

Compound Name(5S)-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene
PubChem CID102517946
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(5S)-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene
SMILESc1ccc([C@@H]2CCCC3=C2CCCO3)cc1
InChIInChI=1S/C15H18O/c1-2-6-12(7-3-1)13-8-4-10-15-14(13)9-5-11-16-15/h1-3,6-7,13H,4-5,8-11H2/t13-/m0/s1
InChIKeyAXWDPHHLQQIBOK-ZDUSSCGKSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene?
The IUPAC name of (5S)-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene (CID 102517946) is (5S)-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene.
What is the SMILES notation for (5S)-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene?
The canonical SMILES for (5S)-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene is c1ccc([C@@H]2CCCC3=C2CCCO3)cc1.
What is the InChIKey of (5S)-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene?
The InChIKey is AXWDPHHLQQIBOK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18O/c1-2-6-12(7-3-1)13-8-4-10-15-14(13)9-5-11-16-15/h1-3,6-7,13H,4-5,8-11H2/t13-/m0/s1.
What are the key properties of (5S)-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene?
(5S)-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene has a molecular weight of 214.31 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-phenyl-3,4,5,6,7,8-hexahydro-2H-chromene is sourced from PubChem (CID 102517946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).