1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol

C22H18O2 — CID 2931271

IUPAC1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol
SMILESCOc1ccc(C(O)(C#Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H18O2/c1-24-21-14-12-20(13-15-21)22(23,19-10-6-3-7-11-19)17-16-18-8-4-2-5-9-18/h2-15,23H,1H3
InChIKeyDLFBQACLKJFDBM-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.98
Rot. Bonds3

About 1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol

1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol (PubChem CID 2931271) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol
PubChem CID2931271
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol
SMILESCOc1ccc(C(O)(C#Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H18O2/c1-24-21-14-12-20(13-15-21)22(23,19-10-6-3-7-11-19)17-16-18-8-4-2-5-9-18/h2-15,23H,1H3
InChIKeyDLFBQACLKJFDBM-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-1-phenyl-3-[2-(2-phenylethynyl)phenyl]prop-2-yn-1-ol
CID 11144141
3-(4-methoxyphenyl)-5-phenylpent-1-en-4-yn-3-ol
CID 67785197
1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol
CID 46944475
1,1,1-trifluoro-4-(4-methoxyphenyl)-2-phenylbut-3-yn-2-ol
CID 132570179
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
1,5-bis(4-methoxyphenyl)-3-methylpenta-1,4-diyn-3-ol
CID 139242349
4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol
CID 146003588
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
1-[4-[4-[1-hydroxy-1-(4-methoxyphenyl)prop-2-ynyl]phenyl]phenyl]-1-(4-methoxyphenyl)prop-2-yn-1-ol
CID 169006869
bis(2,4-diphenylbut-3-yn-2-ol);platinum
CID 11061246
1-methoxy-4-(2-phenylethynoxy)benzene
CID 154395272
1-(4-methoxyphenoxy)-2-phenylpropan-2-ol
CID 62373674

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol?
The IUPAC name of 1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol (CID 2931271) is 1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol is COc1ccc(C(O)(C#Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol?
The InChIKey is DLFBQACLKJFDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-24-21-14-12-20(13-15-21)22(23,19-10-6-3-7-11-19)17-16-18-8-4-2-5-9-18/h2-15,23H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol?
1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol has a molecular weight of 314.38 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol is sourced from PubChem (CID 2931271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).