4-[3-[[6-(1-methyltetrazol-5-yl)-8-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol

C30H28N4O3 — CID 10672772

IUPAC4-[3-[[6-(1-methyltetrazol-5-yl)-8-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol
SMILESCn1nnnc1-c1cc(-c2ccccc2)c2cc(OCc3cccc(C4(O)CCOCC4)c3)ccc2c1
InChIInChI=1S/C30H28N4O3/c1-34-29(31-32-33-34)24-17-23-10-11-26(19-28(23)27(18-24)22-7-3-2-4-8-22)37-20-21-6-5-9-25(16-21)30(35)12-14-36-15-13-30/h2-11,16-19,35H,12-15,20H2,1H3
InChIKeyQZJRVGICRTYEAP-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.27
Rot. Bonds6

About 4-[3-[[6-(1-methyltetrazol-5-yl)-8-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol

4-[3-[[6-(1-methyltetrazol-5-yl)-8-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol (PubChem CID 10672772) has the molecular formula C30H28N4O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is 4-[3-[[6-(1-methyltetrazol-5-yl)-8-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol.

Molecular Properties

Compound Name4-[3-[[6-(1-methyltetrazol-5-yl)-8-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol
PubChem CID10672772
Molecular FormulaC30H28N4O3
Molecular Weight492.58 g/mol
Exact Mass492.22
IUPAC Name4-[3-[[6-(1-methyltetrazol-5-yl)-8-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol
SMILESCn1nnnc1-c1cc(-c2ccccc2)c2cc(OCc3cccc(C4(O)CCOCC4)c3)ccc2c1
InChIInChI=1S/C30H28N4O3/c1-34-29(31-32-33-34)24-17-23-10-11-26(19-28(23)27(18-24)22-7-3-2-4-8-22)37-20-21-6-5-9-25(16-21)30(35)12-14-36-15-13-30/h2-11,16-19,35H,12-15,20H2,1H3
InChIKeyQZJRVGICRTYEAP-UHFFFAOYSA-N
XLogP5.27
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[3-[[6-(1-methyltetrazol-5-yl)-8-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol with MolForge

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Related Compounds

4-[3-[(6-ethyl-8-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol
CID 10527001
6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-4-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one
CID 11799435
4-(furan-3-yl)-7-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]naphthalene-2-carbonitrile
CID 42609834
4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane
CID 10427847
6-[[3-[(1S,5R)-3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl]phenyl]methoxy]-4-phenyl-3H-benzo[f][2]benzofuran-1-one
CID 10791232
8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 14985908
4-[3-(2-chloro-5-phenylimidazo[1,2-a]quinolin-8-yl)sulfanylphenyl]oxan-4-ol
CID 24875768
7-[[3-(4-methoxyoxan-4-yl)phenyl]methoxy]imidazo[1,2-a]quinoline
CID 24876307
4-(furan-3-yl)-7-[[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]methoxy]naphthalene-2-carbonitrile
CID 10646090
(2R,4R)-2-ethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-4-ol
CID 67797905
1-(4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 130577384
1-methyl-5-(3-phenylmethoxyphenyl)pyrazole
CID 175709836

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[6-(1-methyltetrazol-5-yl)-8-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol?
The IUPAC name of 4-[3-[[6-(1-methyltetrazol-5-yl)-8-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol (CID 10672772) is 4-[3-[[6-(1-methyltetrazol-5-yl)-8-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol.
What is the SMILES notation for 4-[3-[[6-(1-methyltetrazol-5-yl)-8-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol?
The canonical SMILES for 4-[3-[[6-(1-methyltetrazol-5-yl)-8-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol is Cn1nnnc1-c1cc(-c2ccccc2)c2cc(OCc3cccc(C4(O)CCOCC4)c3)ccc2c1.
What is the InChIKey of 4-[3-[[6-(1-methyltetrazol-5-yl)-8-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol?
The InChIKey is QZJRVGICRTYEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O3/c1-34-29(31-32-33-34)24-17-23-10-11-26(19-28(23)27(18-24)22-7-3-2-4-8-22)37-20-21-6-5-9-25(16-21)30(35)12-14-36-15-13-30/h2-11,16-19,35H,12-15,20H2,1H3.
What are the key properties of 4-[3-[[6-(1-methyltetrazol-5-yl)-8-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol?
4-[3-[[6-(1-methyltetrazol-5-yl)-8-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol has a molecular weight of 492.58 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[6-(1-methyltetrazol-5-yl)-8-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol is sourced from PubChem (CID 10672772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).