1-naphthalen-2-yl-3-phenylbut-3-en-1-ol

C20H18O — CID 102449400

IUPAC1-naphthalen-2-yl-3-phenylbut-3-en-1-ol
SMILESC=C(CC(O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C20H18O/c1-15(16-7-3-2-4-8-16)13-20(21)19-12-11-17-9-5-6-10-18(17)14-19/h2-12,14,20-21H,1,13H2
InChIKeyXTQNVMGDVGHRIJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.98
Rot. Bonds4

About 1-naphthalen-2-yl-3-phenylbut-3-en-1-ol

1-naphthalen-2-yl-3-phenylbut-3-en-1-ol (PubChem CID 102449400) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-phenylbut-3-en-1-ol
PubChem CID102449400
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name1-naphthalen-2-yl-3-phenylbut-3-en-1-ol
SMILESC=C(CC(O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C20H18O/c1-15(16-7-3-2-4-8-16)13-20(21)19-12-11-17-9-5-6-10-18(17)14-19/h2-12,14,20-21H,1,13H2
InChIKeyXTQNVMGDVGHRIJ-UHFFFAOYSA-N
XLogP4.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1,3-diphenylbut-3-en-1-ol
CID 101158023
1-naphthalen-2-yl-2-phenylethanol
CID 2793947
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
methyl 3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361476
methyl (3R)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361475
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
(1S)-1-naphthalen-2-ylbutane-1,4-diol
CID 163077127
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 13023961
naphthalen-2-ylmethanediol
CID 22496827
3-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-3-en-1-ol
CID 150411288
2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-phenylbut-3-en-1-ol?
The IUPAC name of 1-naphthalen-2-yl-3-phenylbut-3-en-1-ol (CID 102449400) is 1-naphthalen-2-yl-3-phenylbut-3-en-1-ol.
What is the SMILES notation for 1-naphthalen-2-yl-3-phenylbut-3-en-1-ol?
The canonical SMILES for 1-naphthalen-2-yl-3-phenylbut-3-en-1-ol is C=C(CC(O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 1-naphthalen-2-yl-3-phenylbut-3-en-1-ol?
The InChIKey is XTQNVMGDVGHRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O/c1-15(16-7-3-2-4-8-16)13-20(21)19-12-11-17-9-5-6-10-18(17)14-19/h2-12,14,20-21H,1,13H2.
What are the key properties of 1-naphthalen-2-yl-3-phenylbut-3-en-1-ol?
1-naphthalen-2-yl-3-phenylbut-3-en-1-ol has a molecular weight of 274.36 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-phenylbut-3-en-1-ol is sourced from PubChem (CID 102449400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).