(S)-(2,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methanol

C14H17NO3 — CID 97293057

IUPAC(S)-(2,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methanol
SMILESCOc1ccc([C@H](O)c2cccn2C)c(OC)c1
InChIInChI=1S/C14H17NO3/c1-15-8-4-5-12(15)14(16)11-7-6-10(17-2)9-13(11)18-3/h4-9,14,16H,1-3H3/t14-/m0/s1
InChIKeyQJUHDKUDCRGIDF-AWEZNQCLSA-N
MW247.29 g/mol
LogP2.12
Rot. Bonds4

About (S)-(2,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methanol

(S)-(2,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methanol (PubChem CID 97293057) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (S)-(2,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methanol.

Molecular Properties

Compound Name(S)-(2,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methanol
PubChem CID97293057
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(S)-(2,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methanol
SMILESCOc1ccc([C@H](O)c2cccn2C)c(OC)c1
InChIInChI=1S/C14H17NO3/c1-15-8-4-5-12(15)14(16)11-7-6-10(17-2)9-13(11)18-3/h4-9,14,16H,1-3H3/t14-/m0/s1
InChIKeyQJUHDKUDCRGIDF-AWEZNQCLSA-N
XLogP2.12
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-(3-methoxyphenyl)-(1-methylpyrrol-2-yl)methanol
CID 97293101
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 62130800
(R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol
CID 100803991
(2,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 62801796
(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
(2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089367
(5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol
CID 106461135
(2,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanol
CID 63553982
(2,4-dimethoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 61089487
(4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol
CID 114329901

Frequently Asked Questions

What is the IUPAC name of (S)-(2,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methanol?
The IUPAC name of (S)-(2,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methanol (CID 97293057) is (S)-(2,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methanol.
What is the SMILES notation for (S)-(2,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methanol?
The canonical SMILES for (S)-(2,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methanol is COc1ccc([C@H](O)c2cccn2C)c(OC)c1.
What is the InChIKey of (S)-(2,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methanol?
The InChIKey is QJUHDKUDCRGIDF-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17NO3/c1-15-8-4-5-12(15)14(16)11-7-6-10(17-2)9-13(11)18-3/h4-9,14,16H,1-3H3/t14-/m0/s1.
What are the key properties of (S)-(2,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methanol?
(S)-(2,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methanol has a molecular weight of 247.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2,4-dimethoxyphenyl)-(1-methylpyrrol-2-yl)methanol is sourced from PubChem (CID 97293057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).