1-(9H-carbazol-2-yloxy)-4-(hydroxymethyl)-5-(2-methylphenoxy)pentan-2-one

C25H25NO4 — CID 158904444

IUPAC1-(9H-carbazol-2-yloxy)-4-(hydroxymethyl)-5-(2-methylphenoxy)pentan-2-one
SMILESCc1ccccc1OCC(CO)CC(=O)COc1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C25H25NO4/c1-17-6-2-5-9-25(17)30-15-18(14-27)12-19(28)16-29-20-10-11-22-21-7-3-4-8-23(21)26-24(22)13-20/h2-11,13,18,26-27H,12,14-16H2,1H3
InChIKeyJFWDHKVOYVAYJJ-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.66
Rot. Bonds9

About 1-(9H-carbazol-2-yloxy)-4-(hydroxymethyl)-5-(2-methylphenoxy)pentan-2-one

1-(9H-carbazol-2-yloxy)-4-(hydroxymethyl)-5-(2-methylphenoxy)pentan-2-one (PubChem CID 158904444) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-(9H-carbazol-2-yloxy)-4-(hydroxymethyl)-5-(2-methylphenoxy)pentan-2-one.

Molecular Properties

Compound Name1-(9H-carbazol-2-yloxy)-4-(hydroxymethyl)-5-(2-methylphenoxy)pentan-2-one
PubChem CID158904444
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name1-(9H-carbazol-2-yloxy)-4-(hydroxymethyl)-5-(2-methylphenoxy)pentan-2-one
SMILESCc1ccccc1OCC(CO)CC(=O)COc1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C25H25NO4/c1-17-6-2-5-9-25(17)30-15-18(14-27)12-19(28)16-29-20-10-11-22-21-7-3-4-8-23(21)26-24(22)13-20/h2-11,13,18,26-27H,12,14-16H2,1H3
InChIKeyJFWDHKVOYVAYJJ-UHFFFAOYSA-N
XLogP4.66
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(9H-carbazol-2-yloxy)-4-(hydroxymethyl)-5-(2-methylphenoxy)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(9H-carbazol-2-yloxy)-N-(2-methylphenyl)acetamide
CID 17493998
2-(9H-carbazol-2-yloxy)-N-phenylacetamide
CID 7714190
N-butyl-2-(9H-carbazol-2-yloxy)acetamide
CID 7714244
[2-[1-(9H-carbazol-2-yloxy)propan-2-ylamino]phenyl]methanol;hydrochloride
CID 18615090
2-[[2-(9H-carbazol-2-yloxy)acetyl]amino]-3-methyl-N-octadecylpentanamide
CID 21015740
2-(cyclopropylmethoxy)-9H-carbazole
CID 143672103
2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-(2-fluorophenyl)ethanol
CID 70187861
ethyl 4-(9H-carbazol-2-yl)-3,4-dihydroxybutanoate
CID 171898377
2-fluoro-3-(2-methylphenoxy)propanoic acid
CID 105451332
2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 7751372
2-(3,5-dimethoxyphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 132654122
2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)pentoxy]-9H-carbazole
CID 67720865

Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-2-yloxy)-4-(hydroxymethyl)-5-(2-methylphenoxy)pentan-2-one?
The IUPAC name of 1-(9H-carbazol-2-yloxy)-4-(hydroxymethyl)-5-(2-methylphenoxy)pentan-2-one (CID 158904444) is 1-(9H-carbazol-2-yloxy)-4-(hydroxymethyl)-5-(2-methylphenoxy)pentan-2-one.
What is the SMILES notation for 1-(9H-carbazol-2-yloxy)-4-(hydroxymethyl)-5-(2-methylphenoxy)pentan-2-one?
The canonical SMILES for 1-(9H-carbazol-2-yloxy)-4-(hydroxymethyl)-5-(2-methylphenoxy)pentan-2-one is Cc1ccccc1OCC(CO)CC(=O)COc1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 1-(9H-carbazol-2-yloxy)-4-(hydroxymethyl)-5-(2-methylphenoxy)pentan-2-one?
The InChIKey is JFWDHKVOYVAYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-17-6-2-5-9-25(17)30-15-18(14-27)12-19(28)16-29-20-10-11-22-21-7-3-4-8-23(21)26-24(22)13-20/h2-11,13,18,26-27H,12,14-16H2,1H3.
What are the key properties of 1-(9H-carbazol-2-yloxy)-4-(hydroxymethyl)-5-(2-methylphenoxy)pentan-2-one?
1-(9H-carbazol-2-yloxy)-4-(hydroxymethyl)-5-(2-methylphenoxy)pentan-2-one has a molecular weight of 403.48 g/mol, XLogP of 4.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-2-yloxy)-4-(hydroxymethyl)-5-(2-methylphenoxy)pentan-2-one is sourced from PubChem (CID 158904444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).