3-phenylhex-5-ene-2,3-diol;phosphorous acid

C12H19O5P — CID 67770210

IUPAC3-phenylhex-5-ene-2,3-diol;phosphorous acid
SMILESC=CCC(O)(c1ccccc1)C(C)O.OP(O)O
InChIInChI=1S/C12H16O2.H3O3P/c1-3-9-12(14,10(2)13)11-7-5-4-6-8-11;1-4(2)3/h3-8,10,13-14H,1,9H2,2H3;1-3H
InChIKeyJFZNKHUCKOMIEE-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.02
Rot. Bonds4

About 3-phenylhex-5-ene-2,3-diol;phosphorous acid

3-phenylhex-5-ene-2,3-diol;phosphorous acid (PubChem CID 67770210) has the molecular formula C12H19O5P and a molecular weight of 274.25 g/mol. Its IUPAC name is 3-phenylhex-5-ene-2,3-diol;phosphorous acid.

Molecular Properties

Compound Name3-phenylhex-5-ene-2,3-diol;phosphorous acid
PubChem CID67770210
Molecular FormulaC12H19O5P
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name3-phenylhex-5-ene-2,3-diol;phosphorous acid
SMILESC=CCC(O)(c1ccccc1)C(C)O.OP(O)O
InChIInChI=1S/C12H16O2.H3O3P/c1-3-9-12(14,10(2)13)11-7-5-4-6-8-11;1-4(2)3/h3-8,10,13-14H,1,9H2,2H3;1-3H
InChIKeyJFZNKHUCKOMIEE-UHFFFAOYSA-N
XLogP1.02
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-phenylbut-3-ene-1,1-diol
CID 134892936
ethyl 2-chloro-3-hydroxy-3-phenylhex-5-enoate
CID 10778350
1-bromo-2-phenylpent-4-en-2-ol
CID 72801000
1-fluoro-4-methyl-3-phenylpentan-3-ol
CID 156689206
1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 15527575
(5Z)-4,6-diphenylhepta-1,5-dien-4-ol
CID 101172354
1-phenyl-4-prop-2-enylhept-6-ene-1,4-diol
CID 13085285
dilithium;1-phenylbut-3-ene-1,1-diolate
CID 134892935
(2S)-2-methyl-2-phenylpent-4-enal
CID 10866831
(1-methoxy-1-phenylbut-3-enyl)benzene;hydrate
CID 67237772
3-phenyl-3-prop-2-enylpentane-1,5-diol
CID 173032148
4-propylhept-1-en-4-ylbenzene
CID 123221616

Frequently Asked Questions

What is the IUPAC name of 3-phenylhex-5-ene-2,3-diol;phosphorous acid?
The IUPAC name of 3-phenylhex-5-ene-2,3-diol;phosphorous acid (CID 67770210) is 3-phenylhex-5-ene-2,3-diol;phosphorous acid.
What is the SMILES notation for 3-phenylhex-5-ene-2,3-diol;phosphorous acid?
The canonical SMILES for 3-phenylhex-5-ene-2,3-diol;phosphorous acid is C=CCC(O)(c1ccccc1)C(C)O.OP(O)O.
What is the InChIKey of 3-phenylhex-5-ene-2,3-diol;phosphorous acid?
The InChIKey is JFZNKHUCKOMIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2.H3O3P/c1-3-9-12(14,10(2)13)11-7-5-4-6-8-11;1-4(2)3/h3-8,10,13-14H,1,9H2,2H3;1-3H.
What are the key properties of 3-phenylhex-5-ene-2,3-diol;phosphorous acid?
3-phenylhex-5-ene-2,3-diol;phosphorous acid has a molecular weight of 274.25 g/mol, XLogP of 1.02, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylhex-5-ene-2,3-diol;phosphorous acid is sourced from PubChem (CID 67770210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).