(2-methylnaphthalen-1-yl)-(1-methylpyrrol-2-yl)methanol

C17H17NO — CID 91655781

IUPAC(2-methylnaphthalen-1-yl)-(1-methylpyrrol-2-yl)methanol
SMILESCc1ccc2ccccc2c1C(O)c1cccn1C
InChIInChI=1S/C17H17NO/c1-12-9-10-13-6-3-4-7-14(13)16(12)17(19)15-8-5-11-18(15)2/h3-11,17,19H,1-2H3
InChIKeyFBMRGUYEPGSQKK-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.57
Rot. Bonds2

About (2-methylnaphthalen-1-yl)-(1-methylpyrrol-2-yl)methanol

(2-methylnaphthalen-1-yl)-(1-methylpyrrol-2-yl)methanol (PubChem CID 91655781) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (2-methylnaphthalen-1-yl)-(1-methylpyrrol-2-yl)methanol.

Molecular Properties

Compound Name(2-methylnaphthalen-1-yl)-(1-methylpyrrol-2-yl)methanol
PubChem CID91655781
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(2-methylnaphthalen-1-yl)-(1-methylpyrrol-2-yl)methanol
SMILESCc1ccc2ccccc2c1C(O)c1cccn1C
InChIInChI=1S/C17H17NO/c1-12-9-10-13-6-3-4-7-14(13)16(12)17(19)15-8-5-11-18(15)2/h3-11,17,19H,1-2H3
InChIKeyFBMRGUYEPGSQKK-UHFFFAOYSA-N
XLogP3.57
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R)-2,2,2-trifluoro-1-(2-methylnaphthalen-1-yl)ethanol
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(S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol
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1-(2-methylnaphthalen-1-yl)propan-1-ol
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(5-ethylthiophen-2-yl)-(2-methylnaphthalen-1-yl)methanol
CID 81432036
2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol
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(R)-(4-amino-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanol
CID 100804222
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
2,2,3,3,3-pentafluoro-1-(2-methylnaphthalen-1-yl)propan-1-ol
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(5-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanol
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2-[2-hydroxy-2-(2-methylnaphthalen-1-yl)ethoxy]acetic acid
CID 81431719

Frequently Asked Questions

What is the IUPAC name of (2-methylnaphthalen-1-yl)-(1-methylpyrrol-2-yl)methanol?
The IUPAC name of (2-methylnaphthalen-1-yl)-(1-methylpyrrol-2-yl)methanol (CID 91655781) is (2-methylnaphthalen-1-yl)-(1-methylpyrrol-2-yl)methanol.
What is the SMILES notation for (2-methylnaphthalen-1-yl)-(1-methylpyrrol-2-yl)methanol?
The canonical SMILES for (2-methylnaphthalen-1-yl)-(1-methylpyrrol-2-yl)methanol is Cc1ccc2ccccc2c1C(O)c1cccn1C.
What is the InChIKey of (2-methylnaphthalen-1-yl)-(1-methylpyrrol-2-yl)methanol?
The InChIKey is FBMRGUYEPGSQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12-9-10-13-6-3-4-7-14(13)16(12)17(19)15-8-5-11-18(15)2/h3-11,17,19H,1-2H3.
What are the key properties of (2-methylnaphthalen-1-yl)-(1-methylpyrrol-2-yl)methanol?
(2-methylnaphthalen-1-yl)-(1-methylpyrrol-2-yl)methanol has a molecular weight of 251.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylnaphthalen-1-yl)-(1-methylpyrrol-2-yl)methanol is sourced from PubChem (CID 91655781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).