(Z,1R,5R)-1-phenyldec-3-ene-1,5-diol

C16H24O2 — CID 134895948

IUPAC(Z,1R,5R)-1-phenyldec-3-ene-1,5-diol
SMILESCCCCC[C@@H](O)/C=C\C[C@@H](O)c1ccccc1
InChIInChI=1S/C16H24O2/c1-2-3-5-11-15(17)12-8-13-16(18)14-9-6-4-7-10-14/h4,6-10,12,15-18H,2-3,5,11,13H2,1H3/b12-8-/t15-,16-/m1/s1
InChIKeyCPEJLINFPMQQKJ-YHTPHNNESA-N
MW248.37 g/mol
LogP3.61
Rot. Bonds8

About (Z,1R,5R)-1-phenyldec-3-ene-1,5-diol

(Z,1R,5R)-1-phenyldec-3-ene-1,5-diol (PubChem CID 134895948) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (Z,1R,5R)-1-phenyldec-3-ene-1,5-diol.

Molecular Properties

Compound Name(Z,1R,5R)-1-phenyldec-3-ene-1,5-diol
PubChem CID134895948
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(Z,1R,5R)-1-phenyldec-3-ene-1,5-diol
SMILESCCCCC[C@@H](O)/C=C\C[C@@H](O)c1ccccc1
InChIInChI=1S/C16H24O2/c1-2-3-5-11-15(17)12-8-13-16(18)14-9-6-4-7-10-14/h4,6-10,12,15-18H,2-3,5,11,13H2,1H3/b12-8-/t15-,16-/m1/s1
InChIKeyCPEJLINFPMQQKJ-YHTPHNNESA-N
XLogP3.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 6992754
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CID 10879541
(E,7R,11R)-heptadec-8-ene-7,11-diol
CID 101453637
dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol
CID 69241764
2-(nonan-2-ylamino)-1-phenylethanol
CID 43499169
(Z,1S,6R)-1-phenylhept-3-ene-1,6-diol
CID 135057186
octadec-3-en-5-ol
CID 144649733
(E)-non-2-ene-1,4-diol
CID 14106146
(E,4R)-non-2-ene-1,4-diol
CID 11030095
(E)-1-phenyloct-2-en-1-ol
CID 10822082
(Z)-4-ethoxy-1-phenylbut-3-en-1-ol
CID 44889759

Frequently Asked Questions

What is the IUPAC name of (Z,1R,5R)-1-phenyldec-3-ene-1,5-diol?
The IUPAC name of (Z,1R,5R)-1-phenyldec-3-ene-1,5-diol (CID 134895948) is (Z,1R,5R)-1-phenyldec-3-ene-1,5-diol.
What is the SMILES notation for (Z,1R,5R)-1-phenyldec-3-ene-1,5-diol?
The canonical SMILES for (Z,1R,5R)-1-phenyldec-3-ene-1,5-diol is CCCCC[C@@H](O)/C=C\C[C@@H](O)c1ccccc1.
What is the InChIKey of (Z,1R,5R)-1-phenyldec-3-ene-1,5-diol?
The InChIKey is CPEJLINFPMQQKJ-YHTPHNNESA-N. The full InChI is InChI=1S/C16H24O2/c1-2-3-5-11-15(17)12-8-13-16(18)14-9-6-4-7-10-14/h4,6-10,12,15-18H,2-3,5,11,13H2,1H3/b12-8-/t15-,16-/m1/s1.
What are the key properties of (Z,1R,5R)-1-phenyldec-3-ene-1,5-diol?
(Z,1R,5R)-1-phenyldec-3-ene-1,5-diol has a molecular weight of 248.37 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1R,5R)-1-phenyldec-3-ene-1,5-diol is sourced from PubChem (CID 134895948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).