(1R)-1-(1-hexylpyrrol-3-yl)-2H-naphthalen-1-ol

C20H25NO — CID 124640226

IUPAC(1R)-1-(1-hexylpyrrol-3-yl)-2H-naphthalen-1-ol
SMILESCCCCCCn1ccc([C@@]2(O)CC=Cc3ccccc32)c1
InChIInChI=1S/C20H25NO/c1-2-3-4-7-14-21-15-12-18(16-21)20(22)13-8-10-17-9-5-6-11-19(17)20/h5-6,8-12,15-16,22H,2-4,7,13-14H2,1H3/t20-/m0/s1
InChIKeyLOUKMCAGCVZJFG-FQEVSTJZSA-N
MW295.43 g/mol
LogP4.72
Rot. Bonds6

About (1R)-1-(1-hexylpyrrol-3-yl)-2H-naphthalen-1-ol

(1R)-1-(1-hexylpyrrol-3-yl)-2H-naphthalen-1-ol (PubChem CID 124640226) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is (1R)-1-(1-hexylpyrrol-3-yl)-2H-naphthalen-1-ol.

Molecular Properties

Compound Name(1R)-1-(1-hexylpyrrol-3-yl)-2H-naphthalen-1-ol
PubChem CID124640226
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name(1R)-1-(1-hexylpyrrol-3-yl)-2H-naphthalen-1-ol
SMILESCCCCCCn1ccc([C@@]2(O)CC=Cc3ccccc32)c1
InChIInChI=1S/C20H25NO/c1-2-3-4-7-14-21-15-12-18(16-21)20(22)13-8-10-17-9-5-6-11-19(17)20/h5-6,8-12,15-16,22H,2-4,7,13-14H2,1H3/t20-/m0/s1
InChIKeyLOUKMCAGCVZJFG-FQEVSTJZSA-N
XLogP4.72
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-heptylpyrrol-3-yl)methanol
CID 66399953
3-propyl-1-undecylpyrrole;hydrochloride
CID 175874758
N-[(1-dodecylpyrrol-3-yl)methyl]ethanamine
CID 66404098
1-[(1-hydroxy-2H-naphthalen-1-yl)sulfanyl]-2H-naphthalen-1-ol
CID 70302802
iridium;1-pentyl-2H-quinoline
CID 157228935
methyl 1-tetradecylpyrrole-3-carboxylate
CID 155368040
1-decylpyridin-4-imine
CID 534503
1-heptadecylpyrrole
CID 23344128
1-docosylpyrrole
CID 23344131
1-dodecyl-3-propylpyrrole;formonitrile
CID 175849627
3-amino-1-heptylpyridin-4-one
CID 82990837
1-(1-octylpyrrol-3-yl)propan-1-amine
CID 79105838

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-hexylpyrrol-3-yl)-2H-naphthalen-1-ol?
The IUPAC name of (1R)-1-(1-hexylpyrrol-3-yl)-2H-naphthalen-1-ol (CID 124640226) is (1R)-1-(1-hexylpyrrol-3-yl)-2H-naphthalen-1-ol.
What is the SMILES notation for (1R)-1-(1-hexylpyrrol-3-yl)-2H-naphthalen-1-ol?
The canonical SMILES for (1R)-1-(1-hexylpyrrol-3-yl)-2H-naphthalen-1-ol is CCCCCCn1ccc([C@@]2(O)CC=Cc3ccccc32)c1.
What is the InChIKey of (1R)-1-(1-hexylpyrrol-3-yl)-2H-naphthalen-1-ol?
The InChIKey is LOUKMCAGCVZJFG-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25NO/c1-2-3-4-7-14-21-15-12-18(16-21)20(22)13-8-10-17-9-5-6-11-19(17)20/h5-6,8-12,15-16,22H,2-4,7,13-14H2,1H3/t20-/m0/s1.
What are the key properties of (1R)-1-(1-hexylpyrrol-3-yl)-2H-naphthalen-1-ol?
(1R)-1-(1-hexylpyrrol-3-yl)-2H-naphthalen-1-ol has a molecular weight of 295.43 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-hexylpyrrol-3-yl)-2H-naphthalen-1-ol is sourced from PubChem (CID 124640226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).