naphthalen-1-yl(pyridin-3-yl)methanol;3-prop-2-enoxyprop-1-ene

C22H23NO2 — CID 70482779

IUPACnaphthalen-1-yl(pyridin-3-yl)methanol;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.OC(c1cccnc1)c1cccc2ccccc12
InChIInChI=1S/C16H13NO.C6H10O/c18-16(13-7-4-10-17-11-13)15-9-3-6-12-5-1-2-8-14(12)15;1-3-5-7-6-4-2/h1-11,16,18H;3-4H,1-2,5-6H2
InChIKeyWCILQGXOALLIGT-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.69
Rot. Bonds6

About naphthalen-1-yl(pyridin-3-yl)methanol;3-prop-2-enoxyprop-1-ene

naphthalen-1-yl(pyridin-3-yl)methanol;3-prop-2-enoxyprop-1-ene (PubChem CID 70482779) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is naphthalen-1-yl(pyridin-3-yl)methanol;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Namenaphthalen-1-yl(pyridin-3-yl)methanol;3-prop-2-enoxyprop-1-ene
PubChem CID70482779
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Namenaphthalen-1-yl(pyridin-3-yl)methanol;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.OC(c1cccnc1)c1cccc2ccccc12
InChIInChI=1S/C16H13NO.C6H10O/c18-16(13-7-4-10-17-11-13)15-9-3-6-12-5-1-2-8-14(12)15;1-3-5-7-6-4-2/h1-11,16,18H;3-4H,1-2,5-6H2
InChIKeyWCILQGXOALLIGT-UHFFFAOYSA-N
XLogP4.69
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-phenylphenyl)-pyridin-3-ylmethanol;3-prop-2-enoxyprop-1-ene
CID 70532937
N-methyl-2-naphthalen-1-yl-2-pyridin-3-ylethanamine
CID 116824810
1-benzothiophen-3-yl(pyridin-3-yl)methanol
CID 61087457
2-[hydroxy(pyridin-3-yl)methyl]benzonitrile
CID 69484555
(R)-(2-fluoro-3-pyridinyl)-pyridin-3-ylmethanol
CID 86334771
(S)-(3-chlorophenyl)-naphthalen-1-ylmethanol
CID 94549161
(2-chloro-3-methylphenyl)-pyridin-3-ylmethanol
CID 114980240
(2-cyclopropylphenyl)-pyridin-3-ylmethanol
CID 79982582
isoquinolin-5-yl-(3-methylphenyl)methanol
CID 62813349
(S)-(4-chlorophenyl)-naphthalen-1-ylmethanol
CID 93489560
1H-imidazol-5-yl(naphthalen-1-yl)methanol
CID 10376336
(4-chlorophenyl)-isoquinolin-8-ylmethanol
CID 103139329

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl(pyridin-3-yl)methanol;3-prop-2-enoxyprop-1-ene?
The IUPAC name of naphthalen-1-yl(pyridin-3-yl)methanol;3-prop-2-enoxyprop-1-ene (CID 70482779) is naphthalen-1-yl(pyridin-3-yl)methanol;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for naphthalen-1-yl(pyridin-3-yl)methanol;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for naphthalen-1-yl(pyridin-3-yl)methanol;3-prop-2-enoxyprop-1-ene is C=CCOCC=C.OC(c1cccnc1)c1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl(pyridin-3-yl)methanol;3-prop-2-enoxyprop-1-ene?
The InChIKey is WCILQGXOALLIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO.C6H10O/c18-16(13-7-4-10-17-11-13)15-9-3-6-12-5-1-2-8-14(12)15;1-3-5-7-6-4-2/h1-11,16,18H;3-4H,1-2,5-6H2.
What are the key properties of naphthalen-1-yl(pyridin-3-yl)methanol;3-prop-2-enoxyprop-1-ene?
naphthalen-1-yl(pyridin-3-yl)methanol;3-prop-2-enoxyprop-1-ene has a molecular weight of 333.43 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl(pyridin-3-yl)methanol;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 70482779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).