(3S,5S)-1,7-diphenylheptane-3,5-diol

C19H24O2 — CID 15694187

IUPAC(3S,5S)-1,7-diphenylheptane-3,5-diol
SMILESO[C@@H](CCc1ccccc1)C[C@@H](O)CCc1ccccc1
InChIInChI=1S/C19H24O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-10,18-21H,11-15H2/t18-,19-/m0/s1
InChIKeyQSUSPILNZCEGPK-OALUTQOASA-N
MW284.40 g/mol
LogP3.36
Rot. Bonds8

About (3S,5S)-1,7-diphenylheptane-3,5-diol

(3S,5S)-1,7-diphenylheptane-3,5-diol (PubChem CID 15694187) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (3S,5S)-1,7-diphenylheptane-3,5-diol.

Molecular Properties

Compound Name(3S,5S)-1,7-diphenylheptane-3,5-diol
PubChem CID15694187
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(3S,5S)-1,7-diphenylheptane-3,5-diol
SMILESO[C@@H](CCc1ccccc1)C[C@@H](O)CCc1ccccc1
InChIInChI=1S/C19H24O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-10,18-21H,11-15H2/t18-,19-/m0/s1
InChIKeyQSUSPILNZCEGPK-OALUTQOASA-N
XLogP3.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1,7-diphenylheptane-3,5-diol?
The IUPAC name of (3S,5S)-1,7-diphenylheptane-3,5-diol (CID 15694187) is (3S,5S)-1,7-diphenylheptane-3,5-diol.
What is the SMILES notation for (3S,5S)-1,7-diphenylheptane-3,5-diol?
The canonical SMILES for (3S,5S)-1,7-diphenylheptane-3,5-diol is O[C@@H](CCc1ccccc1)C[C@@H](O)CCc1ccccc1.
What is the InChIKey of (3S,5S)-1,7-diphenylheptane-3,5-diol?
The InChIKey is QSUSPILNZCEGPK-OALUTQOASA-N. The full InChI is InChI=1S/C19H24O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-10,18-21H,11-15H2/t18-,19-/m0/s1.
What are the key properties of (3S,5S)-1,7-diphenylheptane-3,5-diol?
(3S,5S)-1,7-diphenylheptane-3,5-diol has a molecular weight of 284.40 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1,7-diphenylheptane-3,5-diol is sourced from PubChem (CID 15694187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).