acetylene;ethane;[[(2E,4Z)-hexa-2,4-dien-2-yl]-phenylphosphanyl]-phenylmethanol

C23H29OP — CID 154692141

IUPACacetylene;ethane;[[(2E,4Z)-hexa-2,4-dien-2-yl]-phenylphosphanyl]-phenylmethanol
SMILESC#C.C/C=C\C=C(/C)P(c1ccccc1)C(O)c1ccccc1.CC
InChIInChI=1S/C19H21OP.C2H6.C2H2/c1-3-4-11-16(2)21(18-14-9-6-10-15-18)19(20)17-12-7-5-8-13-17;2*1-2/h3-15,19-20H,1-2H3;1-2H3;1-2H/b4-3-,16-11+;;
InChIKeyUETAYZRTZDCKOL-FIQASCFYSA-N
MW352.46 g/mol
LogP6.24
Rot. Bonds5

About acetylene;ethane;[[(2E,4Z)-hexa-2,4-dien-2-yl]-phenylphosphanyl]-phenylmethanol

acetylene;ethane;[[(2E,4Z)-hexa-2,4-dien-2-yl]-phenylphosphanyl]-phenylmethanol (PubChem CID 154692141) has the molecular formula C23H29OP and a molecular weight of 352.46 g/mol. Its IUPAC name is acetylene;ethane;[[(2E,4Z)-hexa-2,4-dien-2-yl]-phenylphosphanyl]-phenylmethanol.

Molecular Properties

Compound Nameacetylene;ethane;[[(2E,4Z)-hexa-2,4-dien-2-yl]-phenylphosphanyl]-phenylmethanol
PubChem CID154692141
Molecular FormulaC23H29OP
Molecular Weight352.46 g/mol
Exact Mass352.20
IUPAC Nameacetylene;ethane;[[(2E,4Z)-hexa-2,4-dien-2-yl]-phenylphosphanyl]-phenylmethanol
SMILESC#C.C/C=C\C=C(/C)P(c1ccccc1)C(O)c1ccccc1.CC
InChIInChI=1S/C19H21OP.C2H6.C2H2/c1-3-4-11-16(2)21(18-14-9-6-10-15-18)19(20)17-12-7-5-8-13-17;2*1-2/h3-15,19-20H,1-2H3;1-2H3;1-2H/b4-3-,16-11+;;
InChIKeyUETAYZRTZDCKOL-FIQASCFYSA-N
XLogP6.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;[[(2E,4Z)-hexa-2,4-dien-2-yl]-phenylphosphanyl]-phenylmethanol?
The IUPAC name of acetylene;ethane;[[(2E,4Z)-hexa-2,4-dien-2-yl]-phenylphosphanyl]-phenylmethanol (CID 154692141) is acetylene;ethane;[[(2E,4Z)-hexa-2,4-dien-2-yl]-phenylphosphanyl]-phenylmethanol.
What is the SMILES notation for acetylene;ethane;[[(2E,4Z)-hexa-2,4-dien-2-yl]-phenylphosphanyl]-phenylmethanol?
The canonical SMILES for acetylene;ethane;[[(2E,4Z)-hexa-2,4-dien-2-yl]-phenylphosphanyl]-phenylmethanol is C#C.C/C=C\C=C(/C)P(c1ccccc1)C(O)c1ccccc1.CC.
What is the InChIKey of acetylene;ethane;[[(2E,4Z)-hexa-2,4-dien-2-yl]-phenylphosphanyl]-phenylmethanol?
The InChIKey is UETAYZRTZDCKOL-FIQASCFYSA-N. The full InChI is InChI=1S/C19H21OP.C2H6.C2H2/c1-3-4-11-16(2)21(18-14-9-6-10-15-18)19(20)17-12-7-5-8-13-17;2*1-2/h3-15,19-20H,1-2H3;1-2H3;1-2H/b4-3-,16-11+;;.
What are the key properties of acetylene;ethane;[[(2E,4Z)-hexa-2,4-dien-2-yl]-phenylphosphanyl]-phenylmethanol?
acetylene;ethane;[[(2E,4Z)-hexa-2,4-dien-2-yl]-phenylphosphanyl]-phenylmethanol has a molecular weight of 352.46 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;[[(2E,4Z)-hexa-2,4-dien-2-yl]-phenylphosphanyl]-phenylmethanol is sourced from PubChem (CID 154692141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).