(5-chloro-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol

C14H15ClFNO — CID 63925271

IUPAC(5-chloro-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
SMILESCc1[nH]c(C(O)c2cc(Cl)ccc2F)c(C)c1C
InChIInChI=1S/C14H15ClFNO/c1-7-8(2)13(17-9(7)3)14(18)11-6-10(15)4-5-12(11)16/h4-6,14,17-18H,1-3H3
InChIKeyAIBJMNVLTDMZNO-UHFFFAOYSA-N
MW267.73 g/mol
LogP3.81
Rot. Bonds2

About (5-chloro-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol

(5-chloro-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol (PubChem CID 63925271) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
PubChem CID63925271
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC Name(5-chloro-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
SMILESCc1[nH]c(C(O)c2cc(Cl)ccc2F)c(C)c1C
InChIInChI=1S/C14H15ClFNO/c1-7-8(2)13(17-9(7)3)14(18)11-6-10(15)4-5-12(11)16/h4-6,14,17-18H,1-3H3
InChIKeyAIBJMNVLTDMZNO-UHFFFAOYSA-N
XLogP3.81
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747556
(5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanol
CID 61100029
(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63927912
(3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63926479
(3-chlorothiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 80642386
(5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61080574
(5-chloro-2-fluorophenyl)-(4-methoxy-2-methylphenyl)methanol
CID 61101123
(5-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61081454
2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid
CID 114868069
(5-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087442
(2-bromo-4-chlorophenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 107991288
furan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63927081

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The IUPAC name of (5-chloro-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol (CID 63925271) is (5-chloro-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol is Cc1[nH]c(C(O)c2cc(Cl)ccc2F)c(C)c1C.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The InChIKey is AIBJMNVLTDMZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO/c1-7-8(2)13(17-9(7)3)14(18)11-6-10(15)4-5-12(11)16/h4-6,14,17-18H,1-3H3.
What are the key properties of (5-chloro-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
(5-chloro-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol has a molecular weight of 267.73 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 63925271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).