pentoxy(diphenyl)methanol;phosphane

C18H25O2P — CID 175176254

IUPACpentoxy(diphenyl)methanol;phosphane
SMILESCCCCCOC(O)(c1ccccc1)c1ccccc1.P
InChIInChI=1S/C18H22O2.H3P/c1-2-3-10-15-20-18(19,16-11-6-4-7-12-16)17-13-8-5-9-14-17;/h4-9,11-14,19H,2-3,10,15H2,1H3;1H3
InChIKeyQUPQZNGULNDPMC-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.14
Rot. Bonds7

About pentoxy(diphenyl)methanol;phosphane

pentoxy(diphenyl)methanol;phosphane (PubChem CID 175176254) has the molecular formula C18H25O2P and a molecular weight of 304.37 g/mol. Its IUPAC name is pentoxy(diphenyl)methanol;phosphane.

Molecular Properties

Compound Namepentoxy(diphenyl)methanol;phosphane
PubChem CID175176254
Molecular FormulaC18H25O2P
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Namepentoxy(diphenyl)methanol;phosphane
SMILESCCCCCOC(O)(c1ccccc1)c1ccccc1.P
InChIInChI=1S/C18H22O2.H3P/c1-2-3-10-15-20-18(19,16-11-6-4-7-12-16)17-13-8-5-9-14-17;/h4-9,11-14,19H,2-3,10,15H2,1H3;1H3
InChIKeyQUPQZNGULNDPMC-UHFFFAOYSA-N
XLogP4.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-octadecoxy-1-phenylethanol
CID 175437177
2-hexoxy-2-phenylpropan-1-ol
CID 10105542
bis[(Z)-octadec-9-enoxy]-phenylmethanol
CID 87219212
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
1,1,2,2-tetrahexoxyethylbenzene
CID 3939023
tert-butylbenzene;hexane
CID 175254424
5-phenyltetradecan-5-ol
CID 175223116
5-phenylundecan-5-ol
CID 175525363
1-heptoxy-4-[(4-heptoxyphenyl)-diphenylmethyl]benzene
CID 118498507
4-hexoxy-5-oxo-4,5-diphenylpentanoic acid
CID 154411602
1-tetradecoxy-3-trityloxypropan-2-ol
CID 12896847
[2-(octadecoxymethyl)prop-2-enoxy-diphenylmethyl]benzene
CID 168831330

Frequently Asked Questions

What is the IUPAC name of pentoxy(diphenyl)methanol;phosphane?
The IUPAC name of pentoxy(diphenyl)methanol;phosphane (CID 175176254) is pentoxy(diphenyl)methanol;phosphane.
What is the SMILES notation for pentoxy(diphenyl)methanol;phosphane?
The canonical SMILES for pentoxy(diphenyl)methanol;phosphane is CCCCCOC(O)(c1ccccc1)c1ccccc1.P.
What is the InChIKey of pentoxy(diphenyl)methanol;phosphane?
The InChIKey is QUPQZNGULNDPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2.H3P/c1-2-3-10-15-20-18(19,16-11-6-4-7-12-16)17-13-8-5-9-14-17;/h4-9,11-14,19H,2-3,10,15H2,1H3;1H3.
What are the key properties of pentoxy(diphenyl)methanol;phosphane?
pentoxy(diphenyl)methanol;phosphane has a molecular weight of 304.37 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentoxy(diphenyl)methanol;phosphane is sourced from PubChem (CID 175176254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).