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

C16H21NO — CID 63925666

IUPAC(4-ethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
SMILESCCc1ccc(C(O)c2[nH]c(C)c(C)c2C)cc1
InChIInChI=1S/C16H21NO/c1-5-13-6-8-14(9-7-13)16(18)15-11(3)10(2)12(4)17-15/h6-9,16-18H,5H2,1-4H3
InChIKeyJPNISANMSNILJN-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.58
Rot. Bonds3

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

(4-ethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol (PubChem CID 63925666) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (4-ethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(4-ethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
PubChem CID63925666
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(4-ethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
SMILESCCc1ccc(C(O)c2[nH]c(C)c(C)c2C)cc1
InChIInChI=1S/C16H21NO/c1-5-13-6-8-14(9-7-13)16(18)15-11(3)10(2)12(4)17-15/h6-9,16-18H,5H2,1-4H3
InChIKeyJPNISANMSNILJN-UHFFFAOYSA-N
XLogP3.58
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63926479
furan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63927081
(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63927912
[4-(difluoromethyl)phenyl]-(4-ethylphenyl)methanol
CID 115524847
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
2-[(4-ethylphenyl)-hydroxymethyl]-3,6-dimethylbenzoic acid
CID 103430651
(2,6-dimethyl-4-pyridinyl)-(4-ethylphenyl)methanol
CID 107502814
(3,5-dichlorophenyl)-(4-ethylphenyl)methanol
CID 61087745
(4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol
CID 115373656
(4-ethylphenyl)-(6-methyl-2-pyridinyl)methanol
CID 55221247
(4-ethylphenyl)-(3-propylphenyl)methanol
CID 116542443
(4-ethylphenyl)-(5-methylpyrazin-2-yl)methanol
CID 105084396

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The IUPAC name of (4-ethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol (CID 63925666) is (4-ethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol.
What is the SMILES notation for (4-ethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The canonical SMILES for (4-ethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol is CCc1ccc(C(O)c2[nH]c(C)c(C)c2C)cc1.
What is the InChIKey of (4-ethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The InChIKey is JPNISANMSNILJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-5-13-6-8-14(9-7-13)16(18)15-11(3)10(2)12(4)17-15/h6-9,16-18H,5H2,1-4H3.
What are the key properties of (4-ethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
(4-ethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol has a molecular weight of 243.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 63925666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).