1-[2-hydroxy-3-propyl-4-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]phenyl]ethanone

C25H24N4O3 — CID 171349044

IUPAC1-[2-hydroxy-3-propyl-4-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]phenyl]ethanone
SMILESCCCc1c(OCc2cccc(-c3ccccc3-c3nn[nH]n3)c2)ccc(C(C)=O)c1O
InChIInChI=1S/C25H24N4O3/c1-3-7-22-23(13-12-19(16(2)30)24(22)31)32-15-17-8-6-9-18(14-17)20-10-4-5-11-21(20)25-26-28-29-27-25/h4-6,8-14,31H,3,7,15H2,1-2H3,(H,26,27,28,29)
InChIKeyFYBLKRNCGGGRRQ-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.97
Rot. Bonds8

About 1-[2-hydroxy-3-propyl-4-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]phenyl]ethanone

1-[2-hydroxy-3-propyl-4-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]phenyl]ethanone (PubChem CID 171349044) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 1-[2-hydroxy-3-propyl-4-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-3-propyl-4-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]phenyl]ethanone
PubChem CID171349044
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name1-[2-hydroxy-3-propyl-4-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]phenyl]ethanone
SMILESCCCc1c(OCc2cccc(-c3ccccc3-c3nn[nH]n3)c2)ccc(C(C)=O)c1O
InChIInChI=1S/C25H24N4O3/c1-3-7-22-23(13-12-19(16(2)30)24(22)31)32-15-17-8-6-9-18(14-17)20-10-4-5-11-21(20)25-26-28-29-27-25/h4-6,8-14,31H,3,7,15H2,1-2H3,(H,26,27,28,29)
InChIKeyFYBLKRNCGGGRRQ-UHFFFAOYSA-N
XLogP4.97
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-hydroxy-3-propyl-4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenyl]ethanone
CID 13368614
1-[2-hydroxy-3-propyl-4-[[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]methoxy]phenyl]ethanone
CID 13368616
1-[2-hydroxy-3-propyl-4-[2-[4-(2H-tetrazol-5-yl)phenyl]sulfanylethoxy]phenyl]ethanone
CID 13295527
1-[4-[(2-chloro-4-pyridinyl)methoxy]-2-hydroxy-3-propylphenyl]ethanone
CID 59599539
1-[2-hydroxy-3-propyl-4-[4-[4-(2H-tetrazol-5-yl)-3-(trifluoromethyl)phenoxy]butoxy]phenyl]ethanone
CID 10322819
9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-6-fluoro-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 21249217
1-[4-[5-amino-5-[4-(2H-tetrazol-5-yl)phenyl]pentoxy]-2-hydroxy-3-propylphenyl]ethanone
CID 67554472
1-[4-[[3-(2-aminophenyl)sulfinylphenyl]methoxy]-2-hydroxy-3-propylphenyl]ethanone
CID 89089177
methyl 3-[[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]benzoyl]amino]benzoate
CID 59212581
methyl 3-[[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-2-pyridinyl]amino]-2-(2H-tetrazol-5-yl)prop-2-enoate
CID 139780491
4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 13019363
1-(4-methylphenyl)-3-[2-phenylmethoxy-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]urea
CID 86764419

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-propyl-4-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-3-propyl-4-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]phenyl]ethanone (CID 171349044) is 1-[2-hydroxy-3-propyl-4-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-3-propyl-4-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-3-propyl-4-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]phenyl]ethanone is CCCc1c(OCc2cccc(-c3ccccc3-c3nn[nH]n3)c2)ccc(C(C)=O)c1O.
What is the InChIKey of 1-[2-hydroxy-3-propyl-4-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]phenyl]ethanone?
The InChIKey is FYBLKRNCGGGRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-3-7-22-23(13-12-19(16(2)30)24(22)31)32-15-17-8-6-9-18(14-17)20-10-4-5-11-21(20)25-26-28-29-27-25/h4-6,8-14,31H,3,7,15H2,1-2H3,(H,26,27,28,29).
What are the key properties of 1-[2-hydroxy-3-propyl-4-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]phenyl]ethanone?
1-[2-hydroxy-3-propyl-4-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]phenyl]ethanone has a molecular weight of 428.49 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-propyl-4-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]phenyl]ethanone is sourced from PubChem (CID 171349044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).