(4-propylphenyl)-quinoxalin-6-ylmethanol

C18H18N2O — CID 62876417

IUPAC(4-propylphenyl)-quinoxalin-6-ylmethanol
SMILESCCCc1ccc(C(O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C18H18N2O/c1-2-3-13-4-6-14(7-5-13)18(21)15-8-9-16-17(12-15)20-11-10-19-16/h4-12,18,21H,2-3H2,1H3
InChIKeyVGSWSCAQHASNQO-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.66
Rot. Bonds4

About (4-propylphenyl)-quinoxalin-6-ylmethanol

(4-propylphenyl)-quinoxalin-6-ylmethanol (PubChem CID 62876417) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (4-propylphenyl)-quinoxalin-6-ylmethanol.

Molecular Properties

Compound Name(4-propylphenyl)-quinoxalin-6-ylmethanol
PubChem CID62876417
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(4-propylphenyl)-quinoxalin-6-ylmethanol
SMILESCCCc1ccc(C(O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C18H18N2O/c1-2-3-13-4-6-14(7-5-13)18(21)15-8-9-16-17(12-15)20-11-10-19-16/h4-12,18,21H,2-3H2,1H3
InChIKeyVGSWSCAQHASNQO-UHFFFAOYSA-N
XLogP3.66
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethyl-4-pyridinyl)-(4-propylphenyl)methanol
CID 107502916
(4-propylphenyl)-pyridin-3-ylmethanol
CID 61087023
(4-ethylphenyl)-quinolin-6-ylmethanol
CID 62876415
(4-propylphenyl)-thieno[3,2-b]pyridin-6-ylmethanol
CID 81143867
(3-propoxyphenyl)-(4-propylphenyl)methanol
CID 62919013
(4-methylsulfanylphenyl)-(4-propylphenyl)methanol
CID 79217067
(4-ethylphenyl)-(3-propylphenyl)methanol
CID 116542443
(3-methoxyphenyl)-(4-propylphenyl)methanol
CID 61087387
N-(quinoxalin-6-ylmethyl)ethanamine
CID 62848680
(4-propan-2-yloxyphenyl)-(4-propylphenyl)methanol
CID 63890920
(3-propan-2-yloxyphenyl)-(4-propylphenyl)methanol
CID 62919489
bis(4-tridecylphenyl)methanol
CID 139673626

Frequently Asked Questions

What is the IUPAC name of (4-propylphenyl)-quinoxalin-6-ylmethanol?
The IUPAC name of (4-propylphenyl)-quinoxalin-6-ylmethanol (CID 62876417) is (4-propylphenyl)-quinoxalin-6-ylmethanol.
What is the SMILES notation for (4-propylphenyl)-quinoxalin-6-ylmethanol?
The canonical SMILES for (4-propylphenyl)-quinoxalin-6-ylmethanol is CCCc1ccc(C(O)c2ccc3nccnc3c2)cc1.
What is the InChIKey of (4-propylphenyl)-quinoxalin-6-ylmethanol?
The InChIKey is VGSWSCAQHASNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-3-13-4-6-14(7-5-13)18(21)15-8-9-16-17(12-15)20-11-10-19-16/h4-12,18,21H,2-3H2,1H3.
What are the key properties of (4-propylphenyl)-quinoxalin-6-ylmethanol?
(4-propylphenyl)-quinoxalin-6-ylmethanol has a molecular weight of 278.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylphenyl)-quinoxalin-6-ylmethanol is sourced from PubChem (CID 62876417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).