(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol

C15H18FNO2 — CID 63927912

IUPAC(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
SMILESCOc1ccc(C(O)c2[nH]c(C)c(C)c2C)cc1F
InChIInChI=1S/C15H18FNO2/c1-8-9(2)14(17-10(8)3)15(18)11-5-6-13(19-4)12(16)7-11/h5-7,15,17-18H,1-4H3
InChIKeySOPBTIUNDQRXIY-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.17
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol

(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol (PubChem CID 63927912) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
PubChem CID63927912
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
SMILESCOc1ccc(C(O)c2[nH]c(C)c(C)c2C)cc1F
InChIInChI=1S/C15H18FNO2/c1-8-9(2)14(17-10(8)3)15(18)11-5-6-13(19-4)12(16)7-11/h5-7,15,17-18H,1-4H3
InChIKeySOPBTIUNDQRXIY-UHFFFAOYSA-N
XLogP3.17
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63926479
(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099686
(3-fluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanol
CID 61081867
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 82816107
(3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol
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(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
diethyl 2-(3-fluoro-4-methoxyphenyl)propanedioate
CID 62795748
2-(3-fluoro-4-methoxyphenyl)-2-hydroxyacetamide
CID 65101692
(3-fluoro-4-methoxyphenyl)-(1H-indol-5-yl)methanol
CID 81444916
(5-bromo-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 65307087
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
5-[(3-fluoro-4-methoxyphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 62920423

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol (CID 63927912) is (3-fluoro-4-methoxyphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol is COc1ccc(C(O)c2[nH]c(C)c(C)c2C)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The InChIKey is SOPBTIUNDQRXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-8-9(2)14(17-10(8)3)15(18)11-5-6-13(19-4)12(16)7-11/h5-7,15,17-18H,1-4H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol has a molecular weight of 263.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 63927912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).