(4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol

C17H18N2O2 — CID 103128610

IUPAC(4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol
SMILESCOc1ccc(C(O)c2nn(C)c3ccccc23)c(C)c1
InChIInChI=1S/C17H18N2O2/c1-11-10-12(21-3)8-9-13(11)17(20)16-14-6-4-5-7-15(14)19(2)18-16/h4-10,17,20H,1-3H3
InChIKeyNMXWLTUUJHINPF-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.97
Rot. Bonds3

About (4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol

(4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol (PubChem CID 103128610) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol
PubChem CID103128610
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol
SMILESCOc1ccc(C(O)c2nn(C)c3ccccc23)c(C)c1
InChIInChI=1S/C17H18N2O2/c1-11-10-12(21-3)8-9-13(11)17(20)16-14-6-4-5-7-15(14)19(2)18-16/h4-10,17,20H,1-3H3
InChIKeyNMXWLTUUJHINPF-UHFFFAOYSA-N
XLogP2.97
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-5-methylphenyl)-(1-methylindazol-3-yl)methanol
CID 103128770
(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methanol
CID 65313144
(1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol
CID 103129342
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114
(3-ethyl-1-methylpyrazol-5-yl)-(4-methoxy-2-methylphenyl)methanol
CID 105083001
(4-bromothiophen-3-yl)-(1-methylindazol-3-yl)methanol
CID 103129037
(5-ethoxy-3-pyridinyl)-(1-methylindazol-3-yl)methanol
CID 103129138
(2-chlorofuran-3-yl)-(4-methoxy-2-methylphenyl)methanol
CID 106693602
(2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine
CID 103127012
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
CID 103126967
(2,5-dimethylphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 61101284
3-(difluoromethyl)-1-methylindazole
CID 153487584

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol?
The IUPAC name of (4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol (CID 103128610) is (4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol?
The canonical SMILES for (4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol is COc1ccc(C(O)c2nn(C)c3ccccc23)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol?
The InChIKey is NMXWLTUUJHINPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-10-12(21-3)8-9-13(11)17(20)16-14-6-4-5-7-15(14)19(2)18-16/h4-10,17,20H,1-3H3.
What are the key properties of (4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol?
(4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol has a molecular weight of 282.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol is sourced from PubChem (CID 103128610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).